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

C30H28N4O5 — CID 23804027

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

7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 23804027) has the molecular formula C30H28N4O5 and a molecular weight of 524.58 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 23804027
• Molecular Formula: C30H28N4O5
• Molecular Weight: 524.58 g/mol
• Exact Mass: 524.21
• IUPAC Name: 7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2cccc(C)n2)C3c2ccc([N+](=O)[O-])cc2)cc1
• InChI: InChI=1S/C30H28N4O5/c1-17-5-4-6-26(31-17)33-30(36)27-18(2)32-24-15-21(19-9-13-23(39-3)14-10-19)16-25(35)29(24)28(27)20-7-11-22(12-8-20)34(37)38/h4-14,21,28,32H,15-16H2,1-3H3,(H,31,33,36)
• InChIKey: QFUUCFNJSPJBAC-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 123.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.58
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 23804027) is 7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

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

The canonical SMILES for 7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2cccc(C)n2)C3c2ccc([N+](=O)[O-])cc2)cc1.

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

The InChIKey is QFUUCFNJSPJBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O5/c1-17-5-4-6-26(31-17)33-30(36)27-18(2)32-24-15-21(19-9-13-23(39-3)14-10-19)16-25(35)29(24)28(27)20-7-11-22(12-8-20)34(37)38/h4-14,21,28,32H,15-16H2,1-3H3,(H,31,33,36).

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

7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 524.58 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 23804027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).