2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-yl]-N,N-dimethylethanamine

C25H32ClN3 — CID 160771951

IUPAC2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1ccc2c(c1)N/C(=N\Cc1cccc(Cl)c1)C1(CCCCC1)C2
InChIInChI=1S/C25H32ClN3/c1-29(2)14-11-19-9-10-21-17-25(12-4-3-5-13-25)24(28-23(21)16-19)27-18-20-7-6-8-22(26)15-20/h6-10,15-16H,3-5,11-14,17-18H2,1-2H3,(H,27,28)
InChIKeyRZKWYHXEAIYAPH-UHFFFAOYSA-N
MW410.01 g/mol
LogP5.96
Rot. Bonds5

About 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-yl]-N,N-dimethylethanamine

2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-yl]-N,N-dimethylethanamine (PubChem CID 160771951) has the molecular formula C25H32ClN3 and a molecular weight of 410.01 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-yl]-N,N-dimethylethanamine
PubChem CID160771951
Molecular FormulaC25H32ClN3
Molecular Weight410.01 g/mol
Exact Mass409.23
IUPAC Name2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1ccc2c(c1)N/C(=N\Cc1cccc(Cl)c1)C1(CCCCC1)C2
InChIInChI=1S/C25H32ClN3/c1-29(2)14-11-19-9-10-21-17-25(12-4-3-5-13-25)24(28-23(21)16-19)27-18-20-7-6-8-22(26)15-20/h6-10,15-16H,3-5,11-14,17-18H2,1-2H3,(H,27,28)
InChIKeyRZKWYHXEAIYAPH-UHFFFAOYSA-N
XLogP5.96
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.01
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-yl]-N,N-dimethylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide
CID 158243317
2-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-6,7-dicarboxamide
CID 158189843
N-[(3-chlorophenyl)methyl]spiro[2,3,6,9-tetrahydro-[1,4]dioxino[2,3-g]quinoline-8,1'-cyclohexane]-7-imine
CID 149124034
2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine
CID 153104719
2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,4'-oxane]-7-amine
CID 147013778
6,7-dichloro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 148904092
6,8-dichloro-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 158923065
N-[(3-chlorophenyl)methyl]-7-isocyanospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
CID 147162987
N-[(3-chlorophenyl)methyl]-7-methoxyspiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine
CID 159920209
N-[(3-chlorophenyl)methyl]-7-fluorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
CID 148501909
N-[(3-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,3'-azepane]-2-imine
CID 162087932
N-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 147701031

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-yl]-N,N-dimethylethanamine (CID 160771951) is 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-yl]-N,N-dimethylethanamine is CN(C)CCc1ccc2c(c1)N/C(=N\Cc1cccc(Cl)c1)C1(CCCCC1)C2.
What is the InChIKey of 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-yl]-N,N-dimethylethanamine?
The InChIKey is RZKWYHXEAIYAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3/c1-29(2)14-11-19-9-10-21-17-25(12-4-3-5-13-25)24(28-23(21)16-19)27-18-20-7-6-8-22(26)15-20/h6-10,15-16H,3-5,11-14,17-18H2,1-2H3,(H,27,28).
What are the key properties of 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-yl]-N,N-dimethylethanamine?
2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-yl]-N,N-dimethylethanamine has a molecular weight of 410.01 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 160771951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).