6,7-dichloro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine

C22H24Cl2N2 — CID 148904092

IUPAC6,7-dichloro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
SMILESCc1cccc(C/N=C2\Nc3cc(Cl)c(Cl)cc3CC23CCCCC3)c1
InChIInChI=1S/C22H24Cl2N2/c1-15-6-5-7-16(10-15)14-25-21-22(8-3-2-4-9-22)13-17-11-18(23)19(24)12-20(17)26-21/h5-7,10-12H,2-4,8-9,13-14H2,1H3,(H,25,26)
InChIKeyPHIXNHVJFMDHOD-UHFFFAOYSA-N
MW387.35 g/mol
LogP6.82
Rot. Bonds2

About 6,7-dichloro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine

6,7-dichloro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine (PubChem CID 148904092) has the molecular formula C22H24Cl2N2 and a molecular weight of 387.35 g/mol. Its IUPAC name is 6,7-dichloro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine.

Molecular Properties

Compound Name6,7-dichloro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
PubChem CID148904092
Molecular FormulaC22H24Cl2N2
Molecular Weight387.35 g/mol
Exact Mass386.13
IUPAC Name6,7-dichloro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
SMILESCc1cccc(C/N=C2\Nc3cc(Cl)c(Cl)cc3CC23CCCCC3)c1
InChIInChI=1S/C22H24Cl2N2/c1-15-6-5-7-16(10-15)14-25-21-22(8-3-2-4-9-22)13-17-11-18(23)19(24)12-20(17)26-21/h5-7,10-12H,2-4,8-9,13-14H2,1H3,(H,25,26)
InChIKeyPHIXNHVJFMDHOD-UHFFFAOYSA-N
XLogP6.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.35
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6,7-dichloro-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 158796931
N-[(3-chlorophenyl)methyl]spiro[2,3,6,9-tetrahydro-[1,4]dioxino[2,3-g]quinoline-8,1'-cyclohexane]-7-imine
CID 149124034
N-benzyl-6,7-dichlorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
CID 158802583
2-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-6,7-dicarboxamide
CID 158189843
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
2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide
CID 158243317
N-[(3-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,3'-azepane]-2-imine
CID 162087932
N-[(3,4-dichlorophenyl)methyl]-1-methylspiro[4,7-dihydropyrazolo[4,5-b]pyridine-6,1'-cyclohexane]-5-imine
CID 162203050
2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide
CID 149117692
N-[(2,3-dichlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 160811986
7-fluoro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 145079242

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine?
The IUPAC name of 6,7-dichloro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine (CID 148904092) is 6,7-dichloro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine.
What is the SMILES notation for 6,7-dichloro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine?
The canonical SMILES for 6,7-dichloro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine is Cc1cccc(C/N=C2\Nc3cc(Cl)c(Cl)cc3CC23CCCCC3)c1.
What is the InChIKey of 6,7-dichloro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine?
The InChIKey is PHIXNHVJFMDHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2/c1-15-6-5-7-16(10-15)14-25-21-22(8-3-2-4-9-22)13-17-11-18(23)19(24)12-20(17)26-21/h5-7,10-12H,2-4,8-9,13-14H2,1H3,(H,25,26).
What are the key properties of 6,7-dichloro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine?
6,7-dichloro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine has a molecular weight of 387.35 g/mol, XLogP of 6.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine is sourced from PubChem (CID 148904092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).