(4S,7R)-4-(4-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C30H28FN3O3 — CID 979062

About (4S,7R)-4-(4-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

(4S,7R)-4-(4-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 979062) has the molecular formula C30H28FN3O3 and a molecular weight of 497.57 g/mol. Its IUPAC name is (4S,7R)-4-(4-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: (4S,7R)-4-(4-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 979062
• Molecular Formula: C30H28FN3O3
• Molecular Weight: 497.57 g/mol
• Exact Mass: 497.21
• IUPAC Name: (4S,7R)-4-(4-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2cccc(C)n2)[C@H]3c2ccc(F)cc2)cc1
• InChI: InChI=1S/C30H28FN3O3/c1-17-5-4-6-26(32-17)34-30(36)27-18(2)33-24-15-21(19-9-13-23(37-3)14-10-19)16-25(35)29(24)28(27)20-7-11-22(31)12-8-20/h4-14,21,28,33H,15-16H2,1-3H3,(H,32,34,36)/t21-,28-/m1/s1
• InChIKey: BELILUAABDFFLU-LYZGTLIUSA-N
• XLogP: 5.54
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.57
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (4S,7R)-4-(4-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 979062) is (4S,7R)-4-(4-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

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

The canonical SMILES for (4S,7R)-4-(4-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2cccc(C)n2)[C@H]3c2ccc(F)cc2)cc1.

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

The InChIKey is BELILUAABDFFLU-LYZGTLIUSA-N. The full InChI is InChI=1S/C30H28FN3O3/c1-17-5-4-6-26(32-17)34-30(36)27-18(2)33-24-15-21(19-9-13-23(37-3)14-10-19)16-25(35)29(24)28(27)20-7-11-22(31)12-8-20/h4-14,21,28,33H,15-16H2,1-3H3,(H,32,34,36)/t21-,28-/m1/s1.

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

(4S,7R)-4-(4-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 497.57 g/mol, XLogP of 5.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,7R)-4-(4-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 979062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).