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1152-07-4 | 4(3H)-Quinazolinone, 2-(4-methoxyphenyl)-
CAS No: 1152-07-4 Catalog No: AG000GF6 MDL No:
Product Description
Catalog Number:
AG000GF6
Chemical Name:
4(3H)-Quinazolinone, 2-(4-methoxyphenyl)-
CAS Number:
1152-07-4
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
2-(4-methoxyphenyl)-3H-quinazolin-4-one
InChI:
InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
InChI Key:
HETSSARHFAGODR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc2ccccc2c(=O)[nH]1
NSC Number:
682438
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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 |
| 6-Alkylamino- and 2,3-dihydro-3'-methoxy-2-phenyl-4-quinazolinones and related compounds: their synthesis, cytotoxicity, and inhibition of tubulin polymerization. | Journal of medicinal chemistry 20001116 |
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