N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C24H26N4O4 — CID 56567229

About N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56567229) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• PubChem CID: 56567229
• Molecular Formula: C24H26N4O4
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.20
• IUPAC Name: N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• SMILES: COc1ccccc1C(NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)c1nccn1C
• InChI: InChI=1S/C24H26N4O4/c1-24(2)12-17-15(18(29)13-24)11-16(22(30)26-17)23(31)27-20(21-25-9-10-28(21)3)14-7-5-6-8-19(14)32-4/h5-11,20H,12-13H2,1-4H3,(H,26,30)(H,27,31)
• InChIKey: OQAKWOHROOAJDE-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 106.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56567229) is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The canonical SMILES for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is COc1ccccc1C(NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)c1nccn1C.

What is the InChIKey of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The InChIKey is OQAKWOHROOAJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-24(2)12-17-15(18(29)13-24)11-16(22(30)26-17)23(31)27-20(21-25-9-10-28(21)3)14-7-5-6-8-19(14)32-4/h5-11,20H,12-13H2,1-4H3,(H,26,30)(H,27,31).

What are the key properties of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56567229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).