2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide

C23H26ClN3O — CID 149117692

IUPAC2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide
SMILESCNC(=O)c1cccc2c1CC1(CCCCC1)/C(=N/Cc1cccc(Cl)c1)N2
InChIInChI=1S/C23H26ClN3O/c1-25-21(28)18-9-6-10-20-19(18)14-23(11-3-2-4-12-23)22(27-20)26-15-16-7-5-8-17(24)13-16/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,25,28)(H,26,27)
InChIKeyQYWYEEAJNCOPMC-UHFFFAOYSA-N
MW395.93 g/mol
LogP5.22
Rot. Bonds3

About 2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide

2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide (PubChem CID 149117692) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide
PubChem CID149117692
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide
SMILESCNC(=O)c1cccc2c1CC1(CCCCC1)/C(=N/Cc1cccc(Cl)c1)N2
InChIInChI=1S/C23H26ClN3O/c1-25-21(28)18-9-6-10-20-19(18)14-23(11-3-2-4-12-23)22(27-20)26-15-16-7-5-8-17(24)13-16/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,25,28)(H,26,27)
InChIKeyQYWYEEAJNCOPMC-UHFFFAOYSA-N
XLogP5.22
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.93
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-thiane]-6-carboxamide
CID 147750690
2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide
CID 158243317
2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-thiane]-8-carboxamide
CID 157117921
2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-oxane]-8-carboxamide
CID 148774314
2-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-6,7-dicarboxamide
CID 158189843
5-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
CID 149137668
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-3,1'-cyclohexane]-7-yl]-N,N-dimethylethanamine
CID 160771951
6,8-dichloro-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 158923065
1-[7-acetyl-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-6-yl]ethanone
CID 147248980
N-[(3-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,3'-azepane]-2-imine
CID 162087932
2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,4'-thiane]-6-carboxamide
CID 162119471

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide?
The IUPAC name of 2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide (CID 149117692) is 2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide is CNC(=O)c1cccc2c1CC1(CCCCC1)/C(=N/Cc1cccc(Cl)c1)N2.
What is the InChIKey of 2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide?
The InChIKey is QYWYEEAJNCOPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-25-21(28)18-9-6-10-20-19(18)14-23(11-3-2-4-12-23)22(27-20)26-15-16-7-5-8-17(24)13-16/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide?
2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide has a molecular weight of 395.93 g/mol, XLogP of 5.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide is sourced from PubChem (CID 149117692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).