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

C27H24ClN3O3 — CID 51523823

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

(4S,7R)-4-(4-chlorophenyl)-7-(furan-2-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 51523823) has the molecular formula C27H24ClN3O3 and a molecular weight of 473.96 g/mol. Its IUPAC name is (4S,7R)-4-(4-chlorophenyl)-7-(furan-2-yl)-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-chlorophenyl)-7-(furan-2-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 51523823
• Molecular Formula: C27H24ClN3O3
• Molecular Weight: 473.96 g/mol
• Exact Mass: 473.15
• IUPAC Name: (4S,7R)-4-(4-chlorophenyl)-7-(furan-2-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1
• InChI: InChI=1S/C27H24ClN3O3/c1-15-5-3-7-23(29-15)31-27(33)24-16(2)30-20-13-18(22-6-4-12-34-22)14-21(32)26(20)25(24)17-8-10-19(28)11-9-17/h3-12,18,25,30H,13-14H2,1-2H3,(H,29,31,33)/t18-,25-/m1/s1
• InChIKey: OCHOVQDEWPUTKT-IQGLISFBSA-N
• XLogP: 5.64
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.96
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S,7R)-4-(4-chlorophenyl)-7-(furan-2-yl)-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-chlorophenyl)-7-(furan-2-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 51523823) is (4S,7R)-4-(4-chlorophenyl)-7-(furan-2-yl)-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-chlorophenyl)-7-(furan-2-yl)-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-chlorophenyl)-7-(furan-2-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1.

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

The InChIKey is OCHOVQDEWPUTKT-IQGLISFBSA-N. The full InChI is InChI=1S/C27H24ClN3O3/c1-15-5-3-7-23(29-15)31-27(33)24-16(2)30-20-13-18(22-6-4-12-34-22)14-21(32)26(20)25(24)17-8-10-19(28)11-9-17/h3-12,18,25,30H,13-14H2,1-2H3,(H,29,31,33)/t18-,25-/m1/s1.

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

(4S,7R)-4-(4-chlorophenyl)-7-(furan-2-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 473.96 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,7R)-4-(4-chlorophenyl)-7-(furan-2-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 51523823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).