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

C22H26ClN3O — CID 147013778

IUPAC2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,4'-oxane]-7-amine
SMILESCN(C)c1ccc2c(c1)N/C(=N\Cc1cccc(Cl)c1)C1(CCOCC1)C2
InChIInChI=1S/C22H26ClN3O/c1-26(2)19-7-6-17-14-22(8-10-27-11-9-22)21(25-20(17)13-19)24-15-16-4-3-5-18(23)12-16/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,25)
InChIKeyAUJODNINZSMSRP-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.77
Rot. Bonds3

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

2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,4'-oxane]-7-amine (PubChem CID 147013778) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,4'-oxane]-7-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,4'-oxane]-7-amine
PubChem CID147013778
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC Name2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,4'-oxane]-7-amine
SMILESCN(C)c1ccc2c(c1)N/C(=N\Cc1cccc(Cl)c1)C1(CCOCC1)C2
InChIInChI=1S/C22H26ClN3O/c1-26(2)19-7-6-17-14-22(8-10-27-11-9-22)21(25-20(17)13-19)24-15-16-4-3-5-18(23)12-16/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,25)
InChIKeyAUJODNINZSMSRP-UHFFFAOYSA-N
XLogP4.77
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methyl]-7-fluorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
CID 148501909
N-[(3-chlorophenyl)methyl]-7-isocyanospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
CID 147162987
2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide
CID 158243317
2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-yl]-N,N-dimethylethanamine
CID 160771951
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
N-[(3-chlorophenyl)methyl]-7-methoxyspiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine
CID 159920209
3-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoxaline-2,4'-oxane]-6,7-diamine
CID 137105334
N-[(4-chloro-3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
CID 161018440
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
2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine
CID 153104719

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,4'-oxane]-7-amine?
The IUPAC name of 2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,4'-oxane]-7-amine (CID 147013778) is 2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,4'-oxane]-7-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,4'-oxane]-7-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,4'-oxane]-7-amine is CN(C)c1ccc2c(c1)N/C(=N\Cc1cccc(Cl)c1)C1(CCOCC1)C2.
What is the InChIKey of 2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,4'-oxane]-7-amine?
The InChIKey is AUJODNINZSMSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O/c1-26(2)19-7-6-17-14-22(8-10-27-11-9-22)21(25-20(17)13-19)24-15-16-4-3-5-18(23)12-16/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,25).
What are the key properties of 2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,4'-oxane]-7-amine?
2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,4'-oxane]-7-amine has a molecular weight of 383.92 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,4'-oxane]-7-amine is sourced from PubChem (CID 147013778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).