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

C30H27Cl2N3O3 — CID 23804030

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

4-(2,4-dichlorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 23804030) has the molecular formula C30H27Cl2N3O3 and a molecular weight of 548.47 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 4-(2,4-dichlorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 23804030
• Molecular Formula: C30H27Cl2N3O3
• Molecular Weight: 548.47 g/mol
• Exact Mass: 547.14
• IUPAC Name: 4-(2,4-dichlorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(5-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)Nc2ccc(C)cn2)C3c2ccc(Cl)cc2Cl)cc1
• InChI: InChI=1S/C30H27Cl2N3O3/c1-16-4-11-26(33-15-16)35-30(37)27-17(2)34-24-12-19(18-5-8-21(38-3)9-6-18)13-25(36)29(24)28(27)22-10-7-20(31)14-23(22)32/h4-11,14-15,19,28,34H,12-13H2,1-3H3,(H,33,35,37)
• InChIKey: PUIHJURKTZSOSS-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.47
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-(2,4-dichlorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 23804030) is 4-(2,4-dichlorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

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

The canonical SMILES for 4-(2,4-dichlorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(5-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)Nc2ccc(C)cn2)C3c2ccc(Cl)cc2Cl)cc1.

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

The InChIKey is PUIHJURKTZSOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Cl2N3O3/c1-16-4-11-26(33-15-16)35-30(37)27-17(2)34-24-12-19(18-5-8-21(38-3)9-6-18)13-25(36)29(24)28(27)22-10-7-20(31)14-23(22)32/h4-11,14-15,19,28,34H,12-13H2,1-3H3,(H,33,35,37).

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

4-(2,4-dichlorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 548.47 g/mol, XLogP of 6.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dichlorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 23804030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).