N-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine

C23H27ClN2 — CID 147701031

IUPACN-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
SMILESCCC1CCC2(CC1)Cc1ccccc1N/C2=N\Cc1cccc(Cl)c1
InChIInChI=1S/C23H27ClN2/c1-2-17-10-12-23(13-11-17)15-19-7-3-4-9-21(19)26-22(23)25-16-18-6-5-8-20(24)14-18/h3-9,14,17H,2,10-13,15-16H2,1H3,(H,25,26)
InChIKeyGSVQHQXPUSJKNK-UHFFFAOYSA-N
MW366.94 g/mol
LogP6.49
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine

N-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine (PubChem CID 147701031) has the molecular formula C23H27ClN2 and a molecular weight of 366.94 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
PubChem CID147701031
Molecular FormulaC23H27ClN2
Molecular Weight366.94 g/mol
Exact Mass366.19
IUPAC NameN-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
SMILESCCC1CCC2(CC1)Cc1ccccc1N/C2=N\Cc1cccc(Cl)c1
InChIInChI=1S/C23H27ClN2/c1-2-17-10-12-23(13-11-17)15-19-7-3-4-9-21(19)26-22(23)25-16-18-6-5-8-20(24)14-18/h3-9,14,17H,2,10-13,15-16H2,1H3,(H,25,26)
InChIKeyGSVQHQXPUSJKNK-UHFFFAOYSA-N
XLogP6.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.94
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine (CID 147701031) is N-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine is CCC1CCC2(CC1)Cc1ccccc1N/C2=N\Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine?
The InChIKey is GSVQHQXPUSJKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2/c1-2-17-10-12-23(13-11-17)15-19-7-3-4-9-21(19)26-22(23)25-16-18-6-5-8-20(24)14-18/h3-9,14,17H,2,10-13,15-16H2,1H3,(H,25,26).
What are the key properties of N-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine?
N-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine has a molecular weight of 366.94 g/mol, XLogP of 6.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine is sourced from PubChem (CID 147701031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).