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

C24H23ClN2O2 — CID 1136533

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

(4S)-4-(3-chlorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 1136533) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is (4S)-4-(3-chlorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: (4S)-4-(3-chlorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 1136533
• Molecular Formula: C24H23ClN2O2
• Molecular Weight: 406.91 g/mol
• Exact Mass: 406.14
• IUPAC Name: (4S)-4-(3-chlorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1
• InChI: InChI=1S/C24H23ClN2O2/c1-14-7-3-4-10-18(14)27-24(29)21-15(2)26-19-11-6-12-20(28)23(19)22(21)16-8-5-9-17(25)13-16/h3-5,7-10,13,22,26H,6,11-12H2,1-2H3,(H,27,29)/t22-/m1/s1
• InChIKey: JSGBFOOGKMUZGF-JOCHJYFZSA-N
• XLogP: 5.26
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.91
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (4S)-4-(3-chlorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 1136533) is (4S)-4-(3-chlorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

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

The canonical SMILES for (4S)-4-(3-chlorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1.

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

The InChIKey is JSGBFOOGKMUZGF-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c1-14-7-3-4-10-18(14)27-24(29)21-15(2)26-19-11-6-12-20(28)23(19)22(21)16-8-5-9-17(25)13-16/h3-5,7-10,13,22,26H,6,11-12H2,1-2H3,(H,27,29)/t22-/m1/s1.

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

(4S)-4-(3-chlorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 406.91 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-(3-chlorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 1136533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).