1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]-N-pyridin-2-ylpiperidine-4-carboxamide

C31H28N4O2 — CID 55808180

About 1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]-N-pyridin-2-ylpiperidine-4-carboxamide

1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 55808180) has the molecular formula C31H28N4O2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]-N-pyridin-2-ylpiperidine-4-carboxamide
• PubChem CID: 55808180
• Molecular Formula: C31H28N4O2
• Molecular Weight: 488.59 g/mol
• Exact Mass: 488.22
• IUPAC Name: 1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]-N-pyridin-2-ylpiperidine-4-carboxamide
• SMILES: O=C(Nc1ccccn1)C1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CC3)CC1
• InChI: InChI=1S/C31H28N4O2/c36-30(34-27-12-6-7-17-32-27)22-15-18-35(19-16-22)31(37)28-24-10-4-5-11-26(24)33-29-23(13-14-25(28)29)20-21-8-2-1-3-9-21/h1-12,17,20,22H,13-16,18-19H2,(H,32,34,36)/b23-20-
• InChIKey: WRCZHGLEBWVPAU-ATJXCDBQSA-N
• XLogP: 5.61
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]-N-pyridin-2-ylpiperidine-4-carboxamide?

The IUPAC name of 1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]-N-pyridin-2-ylpiperidine-4-carboxamide (CID 55808180) is 1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]-N-pyridin-2-ylpiperidine-4-carboxamide.

What is the SMILES notation for 1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]-N-pyridin-2-ylpiperidine-4-carboxamide?

The canonical SMILES for 1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]-N-pyridin-2-ylpiperidine-4-carboxamide is O=C(Nc1ccccn1)C1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CC3)CC1.

What is the InChIKey of 1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]-N-pyridin-2-ylpiperidine-4-carboxamide?

The InChIKey is WRCZHGLEBWVPAU-ATJXCDBQSA-N. The full InChI is InChI=1S/C31H28N4O2/c36-30(34-27-12-6-7-17-32-27)22-15-18-35(19-16-22)31(37)28-24-10-4-5-11-26(24)33-29-23(13-14-25(28)29)20-21-8-2-1-3-9-21/h1-12,17,20,22H,13-16,18-19H2,(H,32,34,36)/b23-20-.

What are the key properties of 1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]-N-pyridin-2-ylpiperidine-4-carboxamide?

1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55808180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).