6-Chloro-3H-quinazolin-4-one - CAS 16064-14-5
Catalog: |
BB011652 |
Product Name: |
6-Chloro-3H-quinazolin-4-one |
CAS: |
16064-14-5 |
Synonyms: |
6-chloro-3H-quinazolin-4-one; 6-chloro-3H-quinazolin-4-one |
IUPAC Name: | 6-chloro-3H-quinazolin-4-one |
Description: | 6-Chloro-3H-quinazolin-4-one (CAS# 16064-14-5) is a useful research chemical. |
Molecular Weight: | 180.59 |
Molecular Formula: | C8H5ClN2O |
Canonical SMILES: | C1=CC2=C(C=C1Cl)C(=O)NC=N2 |
InChI: | InChI=1S/C8H5ClN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12) |
InChI Key: | GOBVWEUSCRFCPB-UHFFFAOYSA-N |
Boiling Point: | 356.1 °C at 760 mmHg |
Density: | 1.5 g/cm3 |
MDL: | MFCD00182168 |
LogP: | 1.98880 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, 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-112159404-A | Preparation method of tocaintinib | 20201016 |
CN-111116552-A | Quinazolinone compound and preparation method thereof | 20200117 |
CN-110981817-A | Quinazoline amide compound and application thereof | 20191228 |
WO-2021116706-A1 | COMPOUNDS AND THEIR USE FOR THE TREATMENT OF α1-ANTITRYPSIN DEFICIENCY | 20191213 |
JP-2021512136-A | Condensation ring compound | 20181109 |
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: | 180.0090405 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0090405 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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