7-Fluoroquinazolin-4(3H)-one - CAS 16499-57-3
Catalog: |
BB012154 |
Product Name: |
7-Fluoroquinazolin-4(3H)-one |
CAS: |
16499-57-3 |
Synonyms: |
7-fluoro-3H-quinazolin-4-one; 7-fluoro-3H-quinazolin-4-one |
IUPAC Name: | 7-fluoro-3H-quinazolin-4-one |
Description: | 7-Fluoroquinazolin-4(3H)-one (CAS# 16499-57-3) is a fluorinated quinazolin-4(3H)-one with poly(ADP-ribose)polymerase-1 (PARP-1) inhibitory activity. 7-Fluoro-4(3H)-quinazolinone is also used as an intermediate in the preparation of the aurora kinase inhibitor AZD1152 (A808100). |
Molecular Weight: | 164.14 |
Molecular Formula: | C8H5FN2O |
Canonical SMILES: | C1=CC2=C(C=C1F)N=CNC2=O |
InChI: | InChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12) |
InChI Key: | KCORZHJVTZIZFD-UHFFFAOYSA-N |
Boiling Point: | 293.3 °C at 760 mmHg |
Density: | 1.44 g/cm3 |
MDL: | MFCD07689443 |
LogP: | 1.47450 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112300132-A | Aryl quinazoline DNA-PK inhibitor | 20190730 |
WO-2020210481-A1 | Heterocyclic compounds as kinase inhibitors for therapeutic uses | 20190412 |
TW-202104212-A | Heterocyclic compounds as kinase inhibitors for therapeutic uses | 20190412 |
CN-109206377-B | Novel method for preparing N- (3-chloro-4-fluorophenyl) -7-fluoro-6-nitro-4-quinazolinamine | 20180919 |
TW-202003734-A | Resin composition, laminate, semiconductor wafer with resin composition layer, mounting substrate for semiconductor with resin composition layer, and semiconductor device | 20180426 |
PMID | Publication Date | Title | Journal |
22365563 | 20120401 | Synthesis and SAR optimization of quinazolin-4(3H)-ones as poly(ADP-ribose)polymerase-1 inhibitors | European journal of medicinal chemistry |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.03859095 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.03859095 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
-
Catalog: BB044482
1,3-Dioxolo[4,5-f]quinazolin-7(6H)-one
Detail
-
Catalog: BB050173
1-Mercapto-4-methyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Detail
-
Catalog: BB077771
12-oxo-N-[1-(propan-2-yl)piperidin-4-yl]-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide
Detail
-
Catalog: BB045572
2-(1,5-Dimethyl-1H-pyrazol-4-yl)-3-hydroxy-2,3-dihydroquinazolin-4(1H)-one
Detail
-
Catalog: BB042544
2(1H)-Quinazolinone, 6-methyl-
Detail
-
Catalog: BB002380
2-(Chloromethyl)-4-methylquinazoline
Detail
-
Catalog: BB023557
2-(Chloromethyl)-4(3H)-quinazolinone
Detail
-
Catalog: BB077875
1-Isopropyl-4,5-dihydro-1H-imidazo[4,5-h]quinazolin-8-amine
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Quinazolines
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS