4-cyclohexa-2,4-dien-1-yl-N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,5,6,7-tetrahydro-1H-quinolin-8-imine

C24H30N2 — CID 70955557

IUPAC4-cyclohexa-2,4-dien-1-yl-N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,5,6,7-tetrahydro-1H-quinolin-8-imine
SMILESC1=CCC(C2=CCNC3=C2CCC/C3=N\CCCC2=CCCC=C2)C=C1
InChIInChI=1S/C24H30N2/c1-3-9-19(10-4-1)11-8-17-25-23-15-7-14-22-21(16-18-26-24(22)23)20-12-5-2-6-13-20/h2-3,5-6,9-10,12,16,20,26H,1,4,7-8,11,13-15,17-18H2/b25-23+
InChIKeyQNUAREFUMBHHTK-WJTDDFOZSA-N
MW346.52 g/mol
LogP5.58
Rot. Bonds5

About 4-cyclohexa-2,4-dien-1-yl-N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,5,6,7-tetrahydro-1H-quinolin-8-imine

4-cyclohexa-2,4-dien-1-yl-N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,5,6,7-tetrahydro-1H-quinolin-8-imine (PubChem CID 70955557) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 4-cyclohexa-2,4-dien-1-yl-N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,5,6,7-tetrahydro-1H-quinolin-8-imine.

Molecular Properties

Compound Name4-cyclohexa-2,4-dien-1-yl-N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,5,6,7-tetrahydro-1H-quinolin-8-imine
PubChem CID70955557
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC Name4-cyclohexa-2,4-dien-1-yl-N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,5,6,7-tetrahydro-1H-quinolin-8-imine
SMILESC1=CCC(C2=CCNC3=C2CCC/C3=N\CCCC2=CCCC=C2)C=C1
InChIInChI=1S/C24H30N2/c1-3-9-19(10-4-1)11-8-17-25-23-15-7-14-22-21(16-18-26-24(22)23)20-12-5-2-6-13-20/h2-3,5-6,9-10,12,16,20,26H,1,4,7-8,11,13-15,17-18H2/b25-23+
InChIKeyQNUAREFUMBHHTK-WJTDDFOZSA-N
XLogP5.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-cyclohexa-2,4-dien-1-yl-N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,5,6,7-tetrahydro-1H-quinolin-8-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-2,4-dien-1-yl-N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,5,6,7-tetrahydro-1H-quinolin-8-imine?
The IUPAC name of 4-cyclohexa-2,4-dien-1-yl-N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,5,6,7-tetrahydro-1H-quinolin-8-imine (CID 70955557) is 4-cyclohexa-2,4-dien-1-yl-N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,5,6,7-tetrahydro-1H-quinolin-8-imine.
What is the SMILES notation for 4-cyclohexa-2,4-dien-1-yl-N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,5,6,7-tetrahydro-1H-quinolin-8-imine?
The canonical SMILES for 4-cyclohexa-2,4-dien-1-yl-N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,5,6,7-tetrahydro-1H-quinolin-8-imine is C1=CCC(C2=CCNC3=C2CCC/C3=N\CCCC2=CCCC=C2)C=C1.
What is the InChIKey of 4-cyclohexa-2,4-dien-1-yl-N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,5,6,7-tetrahydro-1H-quinolin-8-imine?
The InChIKey is QNUAREFUMBHHTK-WJTDDFOZSA-N. The full InChI is InChI=1S/C24H30N2/c1-3-9-19(10-4-1)11-8-17-25-23-15-7-14-22-21(16-18-26-24(22)23)20-12-5-2-6-13-20/h2-3,5-6,9-10,12,16,20,26H,1,4,7-8,11,13-15,17-18H2/b25-23+.
What are the key properties of 4-cyclohexa-2,4-dien-1-yl-N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,5,6,7-tetrahydro-1H-quinolin-8-imine?
4-cyclohexa-2,4-dien-1-yl-N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,5,6,7-tetrahydro-1H-quinolin-8-imine has a molecular weight of 346.52 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-2,4-dien-1-yl-N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,5,6,7-tetrahydro-1H-quinolin-8-imine is sourced from PubChem (CID 70955557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).