N-(3,4-dimethylphenyl)-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

C29H32N2O3 — CID 67165995

About N-(3,4-dimethylphenyl)-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

N-(3,4-dimethylphenyl)-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (PubChem CID 67165995) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-(3,4-dimethylphenyl)-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
• PubChem CID: 67165995
• Molecular Formula: C29H32N2O3
• Molecular Weight: 456.59 g/mol
• Exact Mass: 456.24
• IUPAC Name: N-(3,4-dimethylphenyl)-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
• SMILES: CCN(C(=O)C1CC(C)N(C(=O)c2ccc(OC)cc2)c2ccccc21)c1ccc(C)c(C)c1
• InChI: InChI=1S/C29H32N2O3/c1-6-30(23-14-11-19(2)20(3)17-23)29(33)26-18-21(4)31(27-10-8-7-9-25(26)27)28(32)22-12-15-24(34-5)16-13-22/h7-17,21,26H,6,18H2,1-5H3
• InChIKey: UTZYOGCGAIHFHC-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 49.85 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.59
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?

The IUPAC name of N-(3,4-dimethylphenyl)-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (CID 67165995) is N-(3,4-dimethylphenyl)-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.

What is the SMILES notation for N-(3,4-dimethylphenyl)-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?

The canonical SMILES for N-(3,4-dimethylphenyl)-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is CCN(C(=O)C1CC(C)N(C(=O)c2ccc(OC)cc2)c2ccccc21)c1ccc(C)c(C)c1.

What is the InChIKey of N-(3,4-dimethylphenyl)-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?

The InChIKey is UTZYOGCGAIHFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3/c1-6-30(23-14-11-19(2)20(3)17-23)29(33)26-18-21(4)31(27-10-8-7-9-25(26)27)28(32)22-12-15-24(34-5)16-13-22/h7-17,21,26H,6,18H2,1-5H3.

What are the key properties of N-(3,4-dimethylphenyl)-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?

N-(3,4-dimethylphenyl)-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethylphenyl)-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is sourced from PubChem (CID 67165995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).