3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide

C21H17N3O3S — CID 39347985

IUPAC3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide
SMILESCOc1ccccc1-n1cnc2cc(C(=O)NCc3cccs3)ccc2c1=O
InChIInChI=1S/C21H17N3O3S/c1-27-19-7-3-2-6-18(19)24-13-23-17-11-14(8-9-16(17)21(24)26)20(25)22-12-15-5-4-10-28-15/h2-11,13H,12H2,1H3,(H,22,25)
InChIKeyCCWMHPZVPAXGBW-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.39
Rot. Bonds5

About 3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide

3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide (PubChem CID 39347985) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide
PubChem CID39347985
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide
SMILESCOc1ccccc1-n1cnc2cc(C(=O)NCc3cccs3)ccc2c1=O
InChIInChI=1S/C21H17N3O3S/c1-27-19-7-3-2-6-18(19)24-13-23-17-11-14(8-9-16(17)21(24)26)20(25)22-12-15-5-4-10-28-15/h2-11,13H,12H2,1H3,(H,22,25)
InChIKeyCCWMHPZVPAXGBW-UHFFFAOYSA-N
XLogP3.39
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide 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-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39313240
N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39342674
N-(2,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39331968
3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39340542
3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
CID 39048130
3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 39045573
3-(2-methoxyphenyl)quinazolin-4-one
CID 823516
1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 86268678
4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 24512913
3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39334024
N-[(2-methoxyphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide
CID 71825192
3,4-dimethoxy-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131693

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide (CID 39347985) is 3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide is COc1ccccc1-n1cnc2cc(C(=O)NCc3cccs3)ccc2c1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide?
The InChIKey is CCWMHPZVPAXGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-27-19-7-3-2-6-18(19)24-13-23-17-11-14(8-9-16(17)21(24)26)20(25)22-12-15-5-4-10-28-15/h2-11,13H,12H2,1H3,(H,22,25).
What are the key properties of 3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide?
3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide is sourced from PubChem (CID 39347985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).