2-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-6,7-dicarboxamide

C27H33ClN4O2 — CID 158189843

IUPAC2-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-6,7-dicarboxamide
SMILESCN(C)C(=O)c1cc2c(cc1C(=O)N(C)C)N/C(=N\Cc1cccc(Cl)c1)C1(CCCCC1)C2
InChIInChI=1S/C27H33ClN4O2/c1-31(2)24(33)21-14-19-16-27(11-6-5-7-12-27)26(29-17-18-9-8-10-20(28)13-18)30-23(19)15-22(21)25(34)32(3)4/h8-10,13-15H,5-7,11-12,16-17H2,1-4H3,(H,29,30)
InChIKeyFZPMQLANSYLGJA-UHFFFAOYSA-N
MW481.04 g/mol
LogP5.26
Rot. Bonds4

About 2-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-6,7-dicarboxamide

2-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-6,7-dicarboxamide (PubChem CID 158189843) has the molecular formula C27H33ClN4O2 and a molecular weight of 481.04 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-6,7-dicarboxamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-6,7-dicarboxamide
PubChem CID158189843
Molecular FormulaC27H33ClN4O2
Molecular Weight481.04 g/mol
Exact Mass480.23
IUPAC Name2-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-6,7-dicarboxamide
SMILESCN(C)C(=O)c1cc2c(cc1C(=O)N(C)C)N/C(=N\Cc1cccc(Cl)c1)C1(CCCCC1)C2
InChIInChI=1S/C27H33ClN4O2/c1-31(2)24(33)21-14-19-16-27(11-6-5-7-12-27)26(29-17-18-9-8-10-20(28)13-18)30-23(19)15-22(21)25(34)32(3)4/h8-10,13-15H,5-7,11-12,16-17H2,1-4H3,(H,29,30)
InChIKeyFZPMQLANSYLGJA-UHFFFAOYSA-N
XLogP5.26
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.04
LogP ≤ 55.26
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

2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide
CID 158243317
2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,4'-thiane]-6-carboxamide
CID 162119471
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
6,7-dichloro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 148904092
2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide
CID 149117692
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-3,4'-oxane]-7-amine
CID 147013778
6,7-dichloro-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 158796931
2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-thiane]-6-carboxamide
CID 147750690
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-6,7-dicarboxamide?
The IUPAC name of 2-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-6,7-dicarboxamide (CID 158189843) is 2-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-6,7-dicarboxamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-6,7-dicarboxamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-6,7-dicarboxamide is CN(C)C(=O)c1cc2c(cc1C(=O)N(C)C)N/C(=N\Cc1cccc(Cl)c1)C1(CCCCC1)C2.
What is the InChIKey of 2-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-6,7-dicarboxamide?
The InChIKey is FZPMQLANSYLGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN4O2/c1-31(2)24(33)21-14-19-16-27(11-6-5-7-12-27)26(29-17-18-9-8-10-20(28)13-18)30-23(19)15-22(21)25(34)32(3)4/h8-10,13-15H,5-7,11-12,16-17H2,1-4H3,(H,29,30).
What are the key properties of 2-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-6,7-dicarboxamide?
2-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-6,7-dicarboxamide has a molecular weight of 481.04 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-6,7-dicarboxamide is sourced from PubChem (CID 158189843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).