4-(1-benzothiophen-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C26H24N2O2S — CID 155538420

About 4-(1-benzothiophen-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

4-(1-benzothiophen-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 155538420) has the molecular formula C26H24N2O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 4-(1-benzothiophen-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 155538420
• Molecular Formula: C26H24N2O2S
• Molecular Weight: 428.56 g/mol
• Exact Mass: 428.16
• IUPAC Name: 4-(1-benzothiophen-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccccc2C)C(c2csc3ccccc23)C2=C(CCCC2=O)N1
• InChI: InChI=1S/C26H24N2O2S/c1-15-8-3-5-10-19(15)28-26(30)23-16(2)27-20-11-7-12-21(29)25(20)24(23)18-14-31-22-13-6-4-9-17(18)22/h3-6,8-10,13-14,24,27H,7,11-12H2,1-2H3,(H,28,30)
• InChIKey: BGRZUHOAWVKGNV-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.56
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The IUPAC name of 4-(1-benzothiophen-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 155538420) is 4-(1-benzothiophen-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for 4-(1-benzothiophen-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The canonical SMILES for 4-(1-benzothiophen-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccc2C)C(c2csc3ccccc23)C2=C(CCCC2=O)N1.

What is the InChIKey of 4-(1-benzothiophen-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The InChIKey is BGRZUHOAWVKGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2S/c1-15-8-3-5-10-19(15)28-26(30)23-16(2)27-20-11-7-12-21(29)25(20)24(23)18-14-31-22-13-6-4-9-17(18)22/h3-6,8-10,13-14,24,27H,7,11-12H2,1-2H3,(H,28,30).

What are the key properties of 4-(1-benzothiophen-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

4-(1-benzothiophen-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 428.56 g/mol, XLogP of 5.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-benzothiophen-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155538420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).