2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide

C25H22N4O4S — CID 24570327

IUPAC2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide
SMILESCOc1ccccc1-n1c(SC(C)C(=O)NC(=O)Nc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C25H22N4O4S/c1-16(22(30)28-24(32)26-17-10-4-3-5-11-17)34-25-27-19-13-7-6-12-18(19)23(31)29(25)20-14-8-9-15-21(20)33-2/h3-16H,1-2H3,(H2,26,28,30,32)
InChIKeyMGOCGVKBSSWLPF-UHFFFAOYSA-N
MW474.54 g/mol
LogP4.22
Rot. Bonds6

About 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide

2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide (PubChem CID 24570327) has the molecular formula C25H22N4O4S and a molecular weight of 474.54 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide
PubChem CID24570327
Molecular FormulaC25H22N4O4S
Molecular Weight474.54 g/mol
Exact Mass474.14
IUPAC Name2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide
SMILESCOc1ccccc1-n1c(SC(C)C(=O)NC(=O)Nc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C25H22N4O4S/c1-16(22(30)28-24(32)26-17-10-4-3-5-11-17)34-25-27-19-13-7-6-12-18(19)23(31)29(25)20-14-8-9-15-21(20)33-2/h3-16H,1-2H3,(H2,26,28,30,32)
InChIKeyMGOCGVKBSSWLPF-UHFFFAOYSA-N
XLogP4.22
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide 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

2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24570009
(2S)-2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 2609752
2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 4813958
N-(4-acetamidophenyl)-2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3487969
(2R)-2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 2615492
(2S)-N-(methylcarbamoyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8873683
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 46668535
(2R)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 2595640
(2S)-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 7253261
N-(2-methoxy-5-methylphenyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 55417263
(2S)-N-(ethylcarbamoyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2638357
(2R)-N-(4-acetamidophenyl)-2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2095646

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide?
The IUPAC name of 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide (CID 24570327) is 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide?
The canonical SMILES for 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide is COc1ccccc1-n1c(SC(C)C(=O)NC(=O)Nc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide?
The InChIKey is MGOCGVKBSSWLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4S/c1-16(22(30)28-24(32)26-17-10-4-3-5-11-17)34-25-27-19-13-7-6-12-18(19)23(31)29(25)20-14-8-9-15-21(20)33-2/h3-16H,1-2H3,(H2,26,28,30,32).
What are the key properties of 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide?
2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide has a molecular weight of 474.54 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide is sourced from PubChem (CID 24570327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).