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

C32H31FN2O5 — CID 17379942

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

7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 17379942) has the molecular formula C32H31FN2O5 and a molecular weight of 542.61 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 17379942
• Molecular Formula: C32H31FN2O5
• Molecular Weight: 542.61 g/mol
• Exact Mass: 542.22
• IUPAC Name: 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(c4ccc(OC)c(OC)c4)C3)C2c2ccc(F)cc2)cc1
• InChI: InChI=1S/C32H31FN2O5/c1-18-29(32(37)35-23-10-12-24(38-2)13-11-23)30(19-5-8-22(33)9-6-19)31-25(34-18)15-21(16-26(31)36)20-7-14-27(39-3)28(17-20)40-4/h5-14,17,21,30,34H,15-16H2,1-4H3,(H,35,37)
• InChIKey: RDHHMLYPFMKJOA-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 85.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.61
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 17379942) is 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

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

The canonical SMILES for 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(c4ccc(OC)c(OC)c4)C3)C2c2ccc(F)cc2)cc1.

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

The InChIKey is RDHHMLYPFMKJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN2O5/c1-18-29(32(37)35-23-10-12-24(38-2)13-11-23)30(19-5-8-22(33)9-6-19)31-25(34-18)15-21(16-26(31)36)20-7-14-27(39-3)28(17-20)40-4/h5-14,17,21,30,34H,15-16H2,1-4H3,(H,35,37).

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

7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 542.61 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 17379942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).