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

C34H36N2O4 — CID 17379964

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

7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 17379964) has the molecular formula C34H36N2O4 and a molecular weight of 536.67 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 17379964
• Molecular Formula: C34H36N2O4
• Molecular Weight: 536.67 g/mol
• Exact Mass: 536.27
• IUPAC Name: 7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: CCc1ccc(C2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)CC(c2ccc(OC)c(OC)c2)C3)cc1
• InChI: InChI=1S/C34H36N2O4/c1-6-22-9-11-23(12-10-22)32-31(34(38)36-26-14-7-20(2)8-15-26)21(3)35-27-17-25(18-28(37)33(27)32)24-13-16-29(39-4)30(19-24)40-5/h7-16,19,25,32,35H,6,17-18H2,1-5H3,(H,36,38)
• InChIKey: XHXOHOMMJSDUDH-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.67
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 17379964) is 7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

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

The canonical SMILES for 7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCc1ccc(C2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)CC(c2ccc(OC)c(OC)c2)C3)cc1.

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

The InChIKey is XHXOHOMMJSDUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O4/c1-6-22-9-11-23(12-10-22)32-31(34(38)36-26-14-7-20(2)8-15-26)21(3)35-27-17-25(18-28(37)33(27)32)24-13-16-29(39-4)30(19-24)40-5/h7-16,19,25,32,35H,6,17-18H2,1-5H3,(H,36,38).

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

7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 536.67 g/mol, XLogP of 6.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 17379964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).