2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one

C16H12N2O3 — CID 135999605

IUPAC2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one
SMILESCC(=O)c1ccc(-c2nc3ccc(O)cc3c(=O)[nH]2)cc1
InChIInChI=1S/C16H12N2O3/c1-9(19)10-2-4-11(5-3-10)15-17-14-7-6-12(20)8-13(14)16(21)18-15/h2-8,20H,1H3,(H,17,18,21)
InChIKeyKRMDMFCBVNHNGS-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.50
Rot. Bonds2

About 2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one

2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one (PubChem CID 135999605) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one
PubChem CID135999605
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one
SMILESCC(=O)c1ccc(-c2nc3ccc(O)cc3c(=O)[nH]2)cc1
InChIInChI=1S/C16H12N2O3/c1-9(19)10-2-4-11(5-3-10)15-17-14-7-6-12(20)8-13(14)16(21)18-15/h2-8,20H,1H3,(H,17,18,21)
InChIKeyKRMDMFCBVNHNGS-UHFFFAOYSA-N
XLogP2.50
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-acetyl-2-phenyl-3H-quinazolin-4-one
CID 137082893
2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one
CID 135999629
2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one
CID 135541903
actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one
CID 135999600
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431
2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 162148176
6-hydroxy-2-(5-nitrothiophen-3-yl)-3H-quinazolin-4-one
CID 135796482
6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one
CID 137014833
6-fluoro-2-phenyl-3H-quinazolin-4-one
CID 135741351
2-phenyl-6-propan-2-yl-3H-quinazolin-4-one
CID 176911970
2-(6-hydroxy-4-oxo-3H-quinazolin-2-yl)acetonitrile
CID 137182260
2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one
CID 136703862

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one?
The IUPAC name of 2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one (CID 135999605) is 2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one is CC(=O)c1ccc(-c2nc3ccc(O)cc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one?
The InChIKey is KRMDMFCBVNHNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-9(19)10-2-4-11(5-3-10)15-17-14-7-6-12(20)8-13(14)16(21)18-15/h2-8,20H,1H3,(H,17,18,21).
What are the key properties of 2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one?
2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one has a molecular weight of 280.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one is sourced from PubChem (CID 135999605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).