4-[[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]iminomethyl]phenol

C26H24N2O — CID 4129283

About 4-[[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]iminomethyl]phenol

4-[[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]iminomethyl]phenol (PubChem CID 4129283) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]iminomethyl]phenol.

Molecular Properties

• Compound Name: 4-[[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]iminomethyl]phenol
• PubChem CID: 4129283
• Molecular Formula: C26H24N2O
• Molecular Weight: 380.49 g/mol
• Exact Mass: 380.19
• IUPAC Name: 4-[[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]iminomethyl]phenol
• SMILES: Cc1ccc2c(c1)C1C=CCC1C(c1ccc(/N=C/c3ccc(O)cc3)cc1)N2
• InChI: InChI=1S/C26H24N2O/c1-17-5-14-25-24(15-17)22-3-2-4-23(22)26(28-25)19-8-10-20(11-9-19)27-16-18-6-12-21(29)13-7-18/h2-3,5-16,22-23,26,28-29H,4H2,1H3/b27-16+
• InChIKey: XCVAGNAIAKKPKT-JVWAILMASA-N
• XLogP: 6.28
• TPSA: 44.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.49
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]iminomethyl]phenol?

The IUPAC name of 4-[[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]iminomethyl]phenol (CID 4129283) is 4-[[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]iminomethyl]phenol.

What is the SMILES notation for 4-[[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]iminomethyl]phenol?

The canonical SMILES for 4-[[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]iminomethyl]phenol is Cc1ccc2c(c1)C1C=CCC1C(c1ccc(/N=C/c3ccc(O)cc3)cc1)N2.

What is the InChIKey of 4-[[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]iminomethyl]phenol?

The InChIKey is XCVAGNAIAKKPKT-JVWAILMASA-N. The full InChI is InChI=1S/C26H24N2O/c1-17-5-14-25-24(15-17)22-3-2-4-23(22)26(28-25)19-8-10-20(11-9-19)27-16-18-6-12-21(29)13-7-18/h2-3,5-16,22-23,26,28-29H,4H2,1H3/b27-16+.

What are the key properties of 4-[[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]iminomethyl]phenol?

4-[[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]iminomethyl]phenol has a molecular weight of 380.49 g/mol, XLogP of 6.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 4129283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).