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

C28H27N3O4 — CID 51422772

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

(4R,7S)-7-(furan-2-yl)-4-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 51422772) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is (4R,7S)-7-(furan-2-yl)-4-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: (4R,7S)-7-(furan-2-yl)-4-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 51422772
• Molecular Formula: C28H27N3O4
• Molecular Weight: 469.54 g/mol
• Exact Mass: 469.20
• IUPAC Name: (4R,7S)-7-(furan-2-yl)-4-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: COc1ccc([C@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1
• InChI: InChI=1S/C28H27N3O4/c1-16-6-4-8-24(29-16)31-28(33)25-17(2)30-21-14-19(23-7-5-13-35-23)15-22(32)27(21)26(25)18-9-11-20(34-3)12-10-18/h4-13,19,26,30H,14-15H2,1-3H3,(H,29,31,33)/t19-,26-/m0/s1
• InChIKey: RTRORQVJAQQTLF-SIBVEZHUSA-N
• XLogP: 4.99
• TPSA: 93.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.54
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (4R,7S)-7-(furan-2-yl)-4-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 51422772) is (4R,7S)-7-(furan-2-yl)-4-(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 (4R,7S)-7-(furan-2-yl)-4-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The canonical SMILES for (4R,7S)-7-(furan-2-yl)-4-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is COc1ccc([C@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1.

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

The InChIKey is RTRORQVJAQQTLF-SIBVEZHUSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-16-6-4-8-24(29-16)31-28(33)25-17(2)30-21-14-19(23-7-5-13-35-23)15-22(32)27(21)26(25)18-9-11-20(34-3)12-10-18/h4-13,19,26,30H,14-15H2,1-3H3,(H,29,31,33)/t19-,26-/m0/s1.

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

(4R,7S)-7-(furan-2-yl)-4-(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 469.54 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,7S)-7-(furan-2-yl)-4-(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 51422772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).