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

C34H36N2O5 — CID 94850807

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

(4R,7S)-7-(3,4-dimethoxyphenyl)-4-(2,5-dimethylphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 94850807) has the molecular formula C34H36N2O5 and a molecular weight of 552.67 g/mol. Its IUPAC name is (4R,7S)-7-(3,4-dimethoxyphenyl)-4-(2,5-dimethylphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: (4R,7S)-7-(3,4-dimethoxyphenyl)-4-(2,5-dimethylphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 94850807
• Molecular Formula: C34H36N2O5
• Molecular Weight: 552.67 g/mol
• Exact Mass: 552.26
• IUPAC Name: (4R,7S)-7-(3,4-dimethoxyphenyl)-4-(2,5-dimethylphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(C)ccc1C
• InChI: InChI=1S/C34H36N2O5/c1-19-11-12-20(2)24(15-19)32-31(34(38)36-25-9-7-8-10-28(25)39-4)21(3)35-26-16-23(17-27(37)33(26)32)22-13-14-29(40-5)30(18-22)41-6/h7-15,18,23,32,35H,16-17H2,1-6H3,(H,36,38)/t23-,32-/m0/s1
• InChIKey: CVMVXFNZQNBTEN-UDNBHOFDSA-N
• XLogP: 6.33
• TPSA: 85.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.67
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (4R,7S)-7-(3,4-dimethoxyphenyl)-4-(2,5-dimethylphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 94850807) is (4R,7S)-7-(3,4-dimethoxyphenyl)-4-(2,5-dimethylphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

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

The canonical SMILES for (4R,7S)-7-(3,4-dimethoxyphenyl)-4-(2,5-dimethylphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(C)ccc1C.

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

The InChIKey is CVMVXFNZQNBTEN-UDNBHOFDSA-N. The full InChI is InChI=1S/C34H36N2O5/c1-19-11-12-20(2)24(15-19)32-31(34(38)36-25-9-7-8-10-28(25)39-4)21(3)35-26-16-23(17-27(37)33(26)32)22-13-14-29(40-5)30(18-22)41-6/h7-15,18,23,32,35H,16-17H2,1-6H3,(H,36,38)/t23-,32-/m0/s1.

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

(4R,7S)-7-(3,4-dimethoxyphenyl)-4-(2,5-dimethylphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 552.67 g/mol, XLogP of 6.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,7S)-7-(3,4-dimethoxyphenyl)-4-(2,5-dimethylphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 94850807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).