7,7-dimethyl-2,5-dioxo-N-(1-phenylbenzimidazol-2-yl)-6,8-dihydro-1H-quinoline-3-carboxamide

C25H22N4O3 — CID 56565259

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

7,7-dimethyl-2,5-dioxo-N-(1-phenylbenzimidazol-2-yl)-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56565259) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 7,7-dimethyl-2,5-dioxo-N-(1-phenylbenzimidazol-2-yl)-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 7,7-dimethyl-2,5-dioxo-N-(1-phenylbenzimidazol-2-yl)-6,8-dihydro-1H-quinoline-3-carboxamide
• PubChem CID: 56565259
• Molecular Formula: C25H22N4O3
• Molecular Weight: 426.48 g/mol
• Exact Mass: 426.17
• IUPAC Name: 7,7-dimethyl-2,5-dioxo-N-(1-phenylbenzimidazol-2-yl)-6,8-dihydro-1H-quinoline-3-carboxamide
• SMILES: CC1(C)CC(=O)c2cc(C(=O)Nc3nc4ccccc4n3-c3ccccc3)c(=O)[nH]c2C1
• InChI: InChI=1S/C25H22N4O3/c1-25(2)13-19-16(21(30)14-25)12-17(22(31)26-19)23(32)28-24-27-18-10-6-7-11-20(18)29(24)15-8-4-3-5-9-15/h3-12H,13-14H2,1-2H3,(H,26,31)(H,27,28,32)
• InChIKey: QLWQXLACFSGAMS-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 96.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.48
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7,7-dimethyl-2,5-dioxo-N-(1-phenylbenzimidazol-2-yl)-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56565259) is 7,7-dimethyl-2,5-dioxo-N-(1-phenylbenzimidazol-2-yl)-6,8-dihydro-1H-quinoline-3-carboxamide.

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

The canonical SMILES for 7,7-dimethyl-2,5-dioxo-N-(1-phenylbenzimidazol-2-yl)-6,8-dihydro-1H-quinoline-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)Nc3nc4ccccc4n3-c3ccccc3)c(=O)[nH]c2C1.

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

The InChIKey is QLWQXLACFSGAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-25(2)13-19-16(21(30)14-25)12-17(22(31)26-19)23(32)28-24-27-18-10-6-7-11-20(18)29(24)15-8-4-3-5-9-15/h3-12H,13-14H2,1-2H3,(H,26,31)(H,27,28,32).

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

7,7-dimethyl-2,5-dioxo-N-(1-phenylbenzimidazol-2-yl)-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-dimethyl-2,5-dioxo-N-(1-phenylbenzimidazol-2-yl)-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56565259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).