[(3Z)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone

C27H26N2O2 — CID 56575803

About [(3Z)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone

[(3Z)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone (PubChem CID 56575803) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is [(3Z)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [(3Z)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone
• PubChem CID: 56575803
• Molecular Formula: C27H26N2O2
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.20
• IUPAC Name: [(3Z)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone
• SMILES: C=C1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(OC)cc2)CC3)CC1
• InChI: InChI=1S/C27H26N2O2/c1-18-13-15-29(16-14-18)27(30)25-22-5-3-4-6-24(22)28-26-20(9-12-23(25)26)17-19-7-10-21(31-2)11-8-19/h3-8,10-11,17H,1,9,12-16H2,2H3/b20-17-
• InChIKey: UKMPRJNCVCJCIK-JZJYNLBNSA-N
• XLogP: 5.52
• TPSA: 42.43 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3Z)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone?

The IUPAC name of [(3Z)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone (CID 56575803) is [(3Z)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone.

What is the SMILES notation for [(3Z)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone?

The canonical SMILES for [(3Z)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone is C=C1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(OC)cc2)CC3)CC1.

What is the InChIKey of [(3Z)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone?

The InChIKey is UKMPRJNCVCJCIK-JZJYNLBNSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-18-13-15-29(16-14-18)27(30)25-22-5-3-4-6-24(22)28-26-20(9-12-23(25)26)17-19-7-10-21(31-2)11-8-19/h3-8,10-11,17H,1,9,12-16H2,2H3/b20-17-.

What are the key properties of [(3Z)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone?

[(3Z)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone has a molecular weight of 410.52 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(3Z)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone is sourced from PubChem (CID 56575803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).