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Home > Nitro Compounds > 36567-87-0
36567-87-0 | 2-(2-nitrophenyl)quinazolin-4(3H)-one
CAS No: 36567-87-0 Catalog No: AG019F16 MDL No:
Product Description
Catalog Number:
AG019F16
Chemical Name:
2-(2-nitrophenyl)quinazolin-4(3H)-one
CAS Number:
36567-87-0
Molecular Formula:
C14H9N3O3
Molecular Weight:
267.2396
IUPAC Name:
2-(2-nitrophenyl)-3H-quinazolin-4-one
InChI:
InChI=1S/C14H9N3O3/c18-14-9-5-1-3-7-11(9)15-13(16-14)10-6-2-4-8-12(10)17(19)20/h1-8H,(H,15,16,18)
InChI Key:
XRUALMVDXOBYSP-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(nc2c1cccc2)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.244g/mol
Monoisotopic Mass:
267.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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 |
| Auto-redox reaction: tin(II) chloride-mediated one-step reductive cyclization leading to the synthesis of novel biheterocyclic 5,6-dihydro-quinazolino[4,3-b]quinazolin-8-ones with three-point diversity. | The Journal of organic chemistry 20060106 |
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