3-benzylidene-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

C30H24N4O3 — CID 55961878

About 3-benzylidene-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

3-benzylidene-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (PubChem CID 55961878) has the molecular formula C30H24N4O3 and a molecular weight of 488.55 g/mol. Its IUPAC name is 3-benzylidene-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

• Compound Name: 3-benzylidene-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
• PubChem CID: 55961878
• Molecular Formula: C30H24N4O3
• Molecular Weight: 488.55 g/mol
• Exact Mass: 488.18
• IUPAC Name: 3-benzylidene-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
• SMILES: CC1(c2cccc(NC(=O)c3c4c(nc5ccccc35)C(=Cc3ccccc3)CC4)c2)NC(=O)NC1=O
• InChI: InChI=1S/C30H24N4O3/c1-30(28(36)33-29(37)34-30)20-10-7-11-21(17-20)31-27(35)25-22-12-5-6-13-24(22)32-26-19(14-15-23(25)26)16-18-8-3-2-4-9-18/h2-13,16-17H,14-15H2,1H3,(H,31,35)(H2,33,34,36,37)
• InChIKey: JLNDXNPEFXNFMQ-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 100.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.55
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-benzylidene-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?

The IUPAC name of 3-benzylidene-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (CID 55961878) is 3-benzylidene-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.

What is the SMILES notation for 3-benzylidene-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?

The canonical SMILES for 3-benzylidene-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is CC1(c2cccc(NC(=O)c3c4c(nc5ccccc35)C(=Cc3ccccc3)CC4)c2)NC(=O)NC1=O.

What is the InChIKey of 3-benzylidene-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?

The InChIKey is JLNDXNPEFXNFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O3/c1-30(28(36)33-29(37)34-30)20-10-7-11-21(17-20)31-27(35)25-22-12-5-6-13-24(22)32-26-19(14-15-23(25)26)16-18-8-3-2-4-9-18/h2-13,16-17H,14-15H2,1H3,(H,31,35)(H2,33,34,36,37).

What are the key properties of 3-benzylidene-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?

3-benzylidene-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 5.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzylidene-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 55961878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).