N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide

C24H22N2O2S — CID 1396662

About N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide

N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 1396662) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
• PubChem CID: 1396662
• Molecular Formula: C24H22N2O2S
• Molecular Weight: 402.52 g/mol
• Exact Mass: 402.14
• IUPAC Name: N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
• SMILES: Cc1ccc2cc(CN(C(=O)c3cccs3)c3cccc(C)c3C)c(=O)[nH]c2c1
• InChI: InChI=1S/C24H22N2O2S/c1-15-9-10-18-13-19(23(27)25-20(18)12-15)14-26(24(28)22-8-5-11-29-22)21-7-4-6-16(2)17(21)3/h4-13H,14H2,1-3H3,(H,25,27)
• InChIKey: IEQYIOICZOCVOE-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 53.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.52
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?

The IUPAC name of N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide (CID 1396662) is N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide.

What is the SMILES notation for N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?

The canonical SMILES for N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide is Cc1ccc2cc(CN(C(=O)c3cccs3)c3cccc(C)c3C)c(=O)[nH]c2c1.

What is the InChIKey of N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?

The InChIKey is IEQYIOICZOCVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-15-9-10-18-13-19(23(27)25-20(18)12-15)14-26(24(28)22-8-5-11-29-22)21-7-4-6-16(2)17(21)3/h4-13H,14H2,1-3H3,(H,25,27).

What are the key properties of N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?

N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 1396662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).