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

C23H24N4O3 — CID 56560335

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

7,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56560335) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 7,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 7,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• PubChem CID: 56560335
• Molecular Formula: C23H24N4O3
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.18
• IUPAC Name: 7,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• SMILES: Cn1ccnc1C(NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)c1ccccc1
• InChI: InChI=1S/C23H24N4O3/c1-23(2)12-17-15(18(28)13-23)11-16(21(29)25-17)22(30)26-19(14-7-5-4-6-8-14)20-24-9-10-27(20)3/h4-11,19H,12-13H2,1-3H3,(H,25,29)(H,26,30)
• InChIKey: FCFIZZGDEBRYPI-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 96.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56560335) is 7,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

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

The canonical SMILES for 7,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is Cn1ccnc1C(NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)c1ccccc1.

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

The InChIKey is FCFIZZGDEBRYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-23(2)12-17-15(18(28)13-23)11-16(21(29)25-17)22(30)26-19(14-7-5-4-6-8-14)20-24-9-10-27(20)3/h4-11,19H,12-13H2,1-3H3,(H,25,29)(H,26,30).

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

7,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56560335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).