4-(4-oxoquinazolin-3-yl)-N-(2-phenoxyphenyl)benzamide

C27H19N3O3 — CID 39954363

IUPAC4-(4-oxoquinazolin-3-yl)-N-(2-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C27H19N3O3/c31-26(29-24-12-6-7-13-25(24)33-21-8-2-1-3-9-21)19-14-16-20(17-15-19)30-18-28-23-11-5-4-10-22(23)27(30)32/h1-18H,(H,29,31)
InChIKeyGAWYCDDGJNZTMI-UHFFFAOYSA-N
MW433.47 g/mol
LogP5.43
Rot. Bonds5

About 4-(4-oxoquinazolin-3-yl)-N-(2-phenoxyphenyl)benzamide

4-(4-oxoquinazolin-3-yl)-N-(2-phenoxyphenyl)benzamide (PubChem CID 39954363) has the molecular formula C27H19N3O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 4-(4-oxoquinazolin-3-yl)-N-(2-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(4-oxoquinazolin-3-yl)-N-(2-phenoxyphenyl)benzamide
PubChem CID39954363
Molecular FormulaC27H19N3O3
Molecular Weight433.47 g/mol
Exact Mass433.14
IUPAC Name4-(4-oxoquinazolin-3-yl)-N-(2-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C27H19N3O3/c31-26(29-24-12-6-7-13-25(24)33-21-8-2-1-3-9-21)19-14-16-20(17-15-19)30-18-28-23-11-5-4-10-22(23)27(30)32/h1-18H,(H,29,31)
InChIKeyGAWYCDDGJNZTMI-UHFFFAOYSA-N
XLogP5.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.47
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-oxoquinazolin-3-yl)-N-(2-phenoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39341853
4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369967
N-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24641669
methyl 3-methyl-2-[[4-(4-oxoquinazolin-3-yl)benzoyl]amino]butanoate
CID 17464811
4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986
N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide
CID 24513988
N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24512604
4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 24512913
N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 29368993
N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide
CID 43019404
4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 24566961
N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27147986

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxoquinazolin-3-yl)-N-(2-phenoxyphenyl)benzamide?
The IUPAC name of 4-(4-oxoquinazolin-3-yl)-N-(2-phenoxyphenyl)benzamide (CID 39954363) is 4-(4-oxoquinazolin-3-yl)-N-(2-phenoxyphenyl)benzamide.
What is the SMILES notation for 4-(4-oxoquinazolin-3-yl)-N-(2-phenoxyphenyl)benzamide?
The canonical SMILES for 4-(4-oxoquinazolin-3-yl)-N-(2-phenoxyphenyl)benzamide is O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-n2cnc3ccccc3c2=O)cc1.
What is the InChIKey of 4-(4-oxoquinazolin-3-yl)-N-(2-phenoxyphenyl)benzamide?
The InChIKey is GAWYCDDGJNZTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O3/c31-26(29-24-12-6-7-13-25(24)33-21-8-2-1-3-9-21)19-14-16-20(17-15-19)30-18-28-23-11-5-4-10-22(23)27(30)32/h1-18H,(H,29,31).
What are the key properties of 4-(4-oxoquinazolin-3-yl)-N-(2-phenoxyphenyl)benzamide?
4-(4-oxoquinazolin-3-yl)-N-(2-phenoxyphenyl)benzamide has a molecular weight of 433.47 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxoquinazolin-3-yl)-N-(2-phenoxyphenyl)benzamide is sourced from PubChem (CID 39954363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).