2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide

C24H28ClN3O — CID 158243317

IUPAC2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)N/C(=N\Cc1cccc(Cl)c1)C1(CCCCC1)C2
InChIInChI=1S/C24H28ClN3O/c1-28(2)22(29)18-9-10-19-15-24(11-4-3-5-12-24)23(27-21(19)14-18)26-16-17-7-6-8-20(25)13-17/h6-10,13-14H,3-5,11-12,15-16H2,1-2H3,(H,26,27)
InChIKeyGFUXVZPUOSRBCE-UHFFFAOYSA-N
MW409.96 g/mol
LogP5.56
Rot. Bonds3

About 2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide

2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide (PubChem CID 158243317) has the molecular formula C24H28ClN3O and a molecular weight of 409.96 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide
PubChem CID158243317
Molecular FormulaC24H28ClN3O
Molecular Weight409.96 g/mol
Exact Mass409.19
IUPAC Name2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)N/C(=N\Cc1cccc(Cl)c1)C1(CCCCC1)C2
InChIInChI=1S/C24H28ClN3O/c1-28(2)22(29)18-9-10-19-15-24(11-4-3-5-12-24)23(27-21(19)14-18)26-16-17-7-6-8-20(25)13-17/h6-10,13-14H,3-5,11-12,15-16H2,1-2H3,(H,26,27)
InChIKeyGFUXVZPUOSRBCE-UHFFFAOYSA-N
XLogP5.56
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.96
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide?
The IUPAC name of 2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide (CID 158243317) is 2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide is CN(C)C(=O)c1ccc2c(c1)N/C(=N\Cc1cccc(Cl)c1)C1(CCCCC1)C2.
What is the InChIKey of 2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide?
The InChIKey is GFUXVZPUOSRBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O/c1-28(2)22(29)18-9-10-19-15-24(11-4-3-5-12-24)23(27-21(19)14-18)26-16-17-7-6-8-20(25)13-17/h6-10,13-14H,3-5,11-12,15-16H2,1-2H3,(H,26,27).
What are the key properties of 2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide?
2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide has a molecular weight of 409.96 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide is sourced from PubChem (CID 158243317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).