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

C32H33N3O5 — CID 23973019

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

4-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 23973019) has the molecular formula C32H33N3O5 and a molecular weight of 539.63 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 4-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 23973019
• Molecular Formula: C32H33N3O5
• Molecular Weight: 539.63 g/mol
• Exact Mass: 539.24
• IUPAC Name: 4-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2cc(C)ccn2)C3c2ccc(OC)c(OC)c2)cc1
• InChI: InChI=1S/C32H33N3O5/c1-18-12-13-33-28(14-18)35-32(37)29-19(2)34-24-15-22(20-6-9-23(38-3)10-7-20)16-25(36)31(24)30(29)21-8-11-26(39-4)27(17-21)40-5/h6-14,17,22,30,34H,15-16H2,1-5H3,(H,33,35,37)
• InChIKey: ZDRNJZVRDBCOHP-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 98.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.63
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 23973019) is 4-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

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

The canonical SMILES for 4-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2cc(C)ccn2)C3c2ccc(OC)c(OC)c2)cc1.

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

The InChIKey is ZDRNJZVRDBCOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O5/c1-18-12-13-33-28(14-18)35-32(37)29-19(2)34-24-15-22(20-6-9-23(38-3)10-7-20)16-25(36)31(24)30(29)21-8-11-26(39-4)27(17-21)40-5/h6-14,17,22,30,34H,15-16H2,1-5H3,(H,33,35,37).

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

4-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 539.63 g/mol, XLogP of 5.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 23973019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).