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

C21H24ClN3 — CID 148619189

IUPACN-[(2-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
SMILESCN1CCC2(CC1)Cc1ccccc1N/C2=N\Cc1ccccc1Cl
InChIInChI=1S/C21H24ClN3/c1-25-12-10-21(11-13-25)14-16-6-3-5-9-19(16)24-20(21)23-15-17-7-2-4-8-18(17)22/h2-9H,10-15H2,1H3,(H,23,24)
InChIKeyNFXUKGFDPZNXCO-UHFFFAOYSA-N
MW353.90 g/mol
LogP4.62
Rot. Bonds2

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

N-[(2-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine (PubChem CID 148619189) has the molecular formula C21H24ClN3 and a molecular weight of 353.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
PubChem CID148619189
Molecular FormulaC21H24ClN3
Molecular Weight353.90 g/mol
Exact Mass353.17
IUPAC NameN-[(2-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
SMILESCN1CCC2(CC1)Cc1ccccc1N/C2=N\Cc1ccccc1Cl
InChIInChI=1S/C21H24ClN3/c1-25-12-10-21(11-13-25)14-16-6-3-5-9-19(16)24-20(21)23-15-17-7-2-4-8-18(17)22/h2-9H,10-15H2,1H3,(H,23,24)
InChIKeyNFXUKGFDPZNXCO-UHFFFAOYSA-N
XLogP4.62
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(2-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine (CID 148619189) is N-[(2-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine is CN1CCC2(CC1)Cc1ccccc1N/C2=N\Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine?
The InChIKey is NFXUKGFDPZNXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3/c1-25-12-10-21(11-13-25)14-16-6-3-5-9-19(16)24-20(21)23-15-17-7-2-4-8-18(17)22/h2-9H,10-15H2,1H3,(H,23,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine?
N-[(2-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine has a molecular weight of 353.90 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine is sourced from PubChem (CID 148619189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).