2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine

C24H31ClN4 — CID 153104719

IUPAC2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCC2(CC1)Cc1ccccc1N/C2=N\Cc1cccc(Cl)c1
InChIInChI=1S/C24H31ClN4/c1-28(2)14-15-29-12-10-24(11-13-29)17-20-7-3-4-9-22(20)27-23(24)26-18-19-6-5-8-21(25)16-19/h3-9,16H,10-15,17-18H2,1-2H3,(H,26,27)
InChIKeyVRTNXWJDKUODIM-UHFFFAOYSA-N
MW410.99 g/mol
LogP4.55
Rot. Bonds5

About 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine

2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine (PubChem CID 153104719) has the molecular formula C24H31ClN4 and a molecular weight of 410.99 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine
PubChem CID153104719
Molecular FormulaC24H31ClN4
Molecular Weight410.99 g/mol
Exact Mass410.22
IUPAC Name2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCC2(CC1)Cc1ccccc1N/C2=N\Cc1cccc(Cl)c1
InChIInChI=1S/C24H31ClN4/c1-28(2)14-15-29-12-10-24(11-13-29)17-20-7-3-4-9-22(20)27-23(24)26-18-19-6-5-8-21(25)16-19/h3-9,16H,10-15,17-18H2,1-2H3,(H,26,27)
InChIKeyVRTNXWJDKUODIM-UHFFFAOYSA-N
XLogP4.55
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.99
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine (CID 153104719) is 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine is CN(C)CCN1CCC2(CC1)Cc1ccccc1N/C2=N\Cc1cccc(Cl)c1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine?
The InChIKey is VRTNXWJDKUODIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4/c1-28(2)14-15-29-12-10-24(11-13-29)17-20-7-3-4-9-22(20)27-23(24)26-18-19-6-5-8-21(25)16-19/h3-9,16H,10-15,17-18H2,1-2H3,(H,26,27).
What are the key properties of 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine?
2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine has a molecular weight of 410.99 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 153104719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).