7-Hydroxy-6-methoxy-3H-quinazolin-4-one - CAS 162012-72-8
Catalog: |
BB011816 |
Product Name: |
7-Hydroxy-6-methoxy-3H-quinazolin-4-one |
CAS: |
162012-72-8 |
Synonyms: |
7-hydroxy-6-methoxy-3H-quinazolin-4-one; 7-hydroxy-6-methoxy-3H-quinazolin-4-one |
IUPAC Name: | 7-hydroxy-6-methoxy-3H-quinazolin-4-one |
Description: | 7-Hydroxy-6-methoxy-3H-quinazolin-4-one (CAS# 162012-72-8) is a potential 2-arylbenzothiazoles based kinase inhibitor. |
Molecular Weight: | 192.17 |
Molecular Formula: | C9H8N2O3 |
Canonical SMILES: | COC1=C(C=C2C(=C1)C(=O)NC=N2)O |
InChI: | InChI=1S/C9H8N2O3/c1-14-8-2-5-6(3-7(8)12)10-4-11-9(5)13/h2-4,12H,1H3,(H,10,11,13) |
InChI Key: | ZHLRYPLSYOYNQM-UHFFFAOYSA-N |
LogP: | 0.63730 |
GHS Hazard Statement: | H302 (100%): 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 |
EP-3778586-A1 | Quinazoline compound serving as egfr triple mutation inhibitor and applications thereof | 20180413 |
CN-103923023-A | New method for performing microwave synthesis on gefitinib and derivative thereof | 20140411 |
US-10398703-B2 | Therapeutic compounds and uses thereof | 20130215 |
US-2014235634-A1 | Therapeutic compounds and uses thereof | 20130215 |
US-2016235761-A1 | Therapeutic compounds and uses thereof | 20130215 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.05349212 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 70.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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