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

C24H23ClN2O2 — CID 7449117

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

(4S)-4-(4-chlorophenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (PubChem CID 7449117) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is (4S)-4-(4-chlorophenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: (4S)-4-(4-chlorophenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
• PubChem CID: 7449117
• Molecular Formula: C24H23ClN2O2
• Molecular Weight: 406.91 g/mol
• Exact Mass: 406.14
• IUPAC Name: (4S)-4-(4-chlorophenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
• SMILES: CC1=NC2=C(C(=O)CCC2)[C@H](c2ccc(Cl)cc2)C1C(=O)Nc1ccc(C)cc1
• InChI: InChI=1S/C24H23ClN2O2/c1-14-6-12-18(13-7-14)27-24(29)21-15(2)26-19-4-3-5-20(28)23(19)22(21)16-8-10-17(25)11-9-16/h6-13,21-22H,3-5H2,1-2H3,(H,27,29)/t21?,22-/m1/s1
• InChIKey: QGZZCNVISBFSEF-FOIFJWKZSA-N
• XLogP: 5.47
• TPSA: 58.53 Ų
• H-Bond Donors: 1
• 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	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (4S)-4-(4-chlorophenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (CID 7449117) is (4S)-4-(4-chlorophenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide.

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

The canonical SMILES for (4S)-4-(4-chlorophenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide is CC1=NC2=C(C(=O)CCC2)[C@H](c2ccc(Cl)cc2)C1C(=O)Nc1ccc(C)cc1.

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

The InChIKey is QGZZCNVISBFSEF-FOIFJWKZSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c1-14-6-12-18(13-7-14)27-24(29)21-15(2)26-19-4-3-5-20(28)23(19)22(21)16-8-10-17(25)11-9-16/h6-13,21-22H,3-5H2,1-2H3,(H,27,29)/t21?,22-/m1/s1.

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

(4S)-4-(4-chlorophenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide has a molecular weight of 406.91 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-(4-chlorophenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide is sourced from PubChem (CID 7449117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).