8-Chloro-3,4-dihydroquinazolin-4-one - CAS 101494-95-5
Catalog: |
BB000520 |
Product Name: |
8-Chloro-3,4-dihydroquinazolin-4-one |
CAS: |
101494-95-5 |
Synonyms: |
8-chloro-3H-quinazolin-4-one; 8-chloro-3H-quinazolin-4-one |
IUPAC Name: | 8-chloro-3H-quinazolin-4-one |
Description: | 8-Chloro-3,4-dihydroquinazolin-4-one (CAS# 101494-95-5) is a useful research chemical. |
Molecular Weight: | 180.59 |
Molecular Formula: | C8H5ClN2O |
Canonical SMILES: | C1=CC2=C(C(=C1)Cl)N=CNC2=O |
InChI: | InChI=1S/C8H5ClN2O/c9-6-3-1-2-5-7(6)10-4-11-8(5)12/h1-4H,(H,10,11,12) |
InChI Key: | JWLJDRWZFALRKE-UHFFFAOYSA-N |
LogP: | 1.98880 |
Publication Number | Title | Priority Date |
CN-107337646-A | A kind of method using methanol as Material synthesis Quinazol derivative | 20160503 |
CN-107337646-B | Method for synthesizing quinazolinone derivative by using methanol as raw material | 20160503 |
CA-2742023-A1 | Polar quinazolines as liver x receptors ( lxrs ) modulators | 20081119 |
EP-2367801-A1 | Polar quinazolines as liver x receptors ( lxrs ) modulators | 20081119 |
US-2010184786-A1 | Polar Quinazolines | 20081119 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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