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89860-51-5 | 4(1H)-Quinazolinone, 2-(4-hydroxyphenyl)-
CAS No: 89860-51-5 Catalog No: AG003WR5 MDL No:MFCD02681753
Product Description
Catalog Number:
AG003WR5
Chemical Name:
4(1H)-Quinazolinone, 2-(4-hydroxyphenyl)-
CAS Number:
89860-51-5
Molecular Formula:
C14H10N2O2
Molecular Weight:
238.2414
MDL Number:
MFCD02681753
IUPAC Name:
2-(4-hydroxyphenyl)-3H-quinazolin-4-one
InChI:
InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)
InChI Key:
HMZVOPJPTNTGGO-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nc(=O)c2c([nH]1)cccc2
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.246g/mol
Monoisotopic Mass:
238.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Computer-aided design, synthesis and validation of 2-phenylquinazolinone fragments as CDK9 inhibitors with anti-HIV-1 Tat-mediated transcription activity. | ChemMedChem 20131201 |
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