N-(3-acetylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide

C23H17N3O3 — CID 39333619

IUPACN-(3-acetylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)cnc3c2)c1
InChIInChI=1S/C23H17N3O3/c1-15(27)16-6-5-7-18(12-16)25-22(28)17-10-11-20-21(13-17)24-14-26(23(20)29)19-8-3-2-4-9-19/h2-14H,1H3,(H,25,28)
InChIKeyMXPOMYRYNNKOQU-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.84
Rot. Bonds4

About N-(3-acetylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide

N-(3-acetylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide (PubChem CID 39333619) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide
PubChem CID39333619
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC NameN-(3-acetylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)cnc3c2)c1
InChIInChI=1S/C23H17N3O3/c1-15(27)16-6-5-7-18(12-16)25-22(28)17-10-11-20-21(13-17)24-14-26(23(20)29)19-8-3-2-4-9-19/h2-14H,1H3,(H,25,28)
InChIKeyMXPOMYRYNNKOQU-UHFFFAOYSA-N
XLogP3.84
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-3-(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide
CID 45495109
N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 40723784
N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39341853
N-(3-acetylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 9095690
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide
CID 121080165
methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 87037290
3-(4-oxoquinazolin-3-yl)benzoic acid
CID 7749421
N-(3-acetylphenyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7992599
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
N-(3-acetylphenyl)naphthalene-2-carboxamide
CID 2274462
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294842

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide (CID 39333619) is N-(3-acetylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)cnc3c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide?
The InChIKey is MXPOMYRYNNKOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c1-15(27)16-6-5-7-18(12-16)25-22(28)17-10-11-20-21(13-17)24-14-26(23(20)29)19-8-3-2-4-9-19/h2-14H,1H3,(H,25,28).
What are the key properties of N-(3-acetylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide?
N-(3-acetylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide is sourced from PubChem (CID 39333619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).