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

C35H38N2O5 — CID 17379938

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

7-(3,4-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 17379938) has the molecular formula C35H38N2O5 and a molecular weight of 566.70 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 7-(3,4-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 17379938
• Molecular Formula: C35H38N2O5
• Molecular Weight: 566.70 g/mol
• Exact Mass: 566.28
• IUPAC Name: 7-(3,4-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)c(OC)c3)C2)C1c1ccc(C(C)C)cc1
• InChI: InChI=1S/C35H38N2O5/c1-20(2)22-11-13-23(14-12-22)33-32(35(39)37-26-9-7-8-10-29(26)40-4)21(3)36-27-17-25(18-28(38)34(27)33)24-15-16-30(41-5)31(19-24)42-6/h7-16,19-20,25,33,36H,17-18H2,1-6H3,(H,37,39)
• InChIKey: WYLLWLSAMWOFKL-UHFFFAOYSA-N
• XLogP: 6.84
• TPSA: 85.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.70
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-(3,4-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 17379938) is 7-(3,4-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

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

The canonical SMILES for 7-(3,4-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)c(OC)c3)C2)C1c1ccc(C(C)C)cc1.

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

The InChIKey is WYLLWLSAMWOFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N2O5/c1-20(2)22-11-13-23(14-12-22)33-32(35(39)37-26-9-7-8-10-29(26)40-4)21(3)36-27-17-25(18-28(38)34(27)33)24-15-16-30(41-5)31(19-24)42-6/h7-16,19-20,25,33,36H,17-18H2,1-6H3,(H,37,39).

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

7-(3,4-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 566.70 g/mol, XLogP of 6.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,4-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 17379938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).