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

C20H21BrClN3 — CID 149137668

IUPAC5-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
SMILESClc1cccc(C/N=C2\Nc3cccc(Br)c3CC23CCNCC3)c1
InChIInChI=1S/C20H21BrClN3/c21-17-5-2-6-18-16(17)12-20(7-9-23-10-8-20)19(25-18)24-13-14-3-1-4-15(22)11-14/h1-6,11,23H,7-10,12-13H2,(H,24,25)
InChIKeyRFWNWDAZOIFGQL-UHFFFAOYSA-N
MW418.77 g/mol
LogP5.04
Rot. Bonds2

About 5-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine

5-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine (PubChem CID 149137668) has the molecular formula C20H21BrClN3 and a molecular weight of 418.77 g/mol. Its IUPAC name is 5-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine.

Molecular Properties

Compound Name5-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
PubChem CID149137668
Molecular FormulaC20H21BrClN3
Molecular Weight418.77 g/mol
Exact Mass417.06
IUPAC Name5-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
SMILESClc1cccc(C/N=C2\Nc3cccc(Br)c3CC23CCNCC3)c1
InChIInChI=1S/C20H21BrClN3/c21-17-5-2-6-18-16(17)12-20(7-9-23-10-8-20)19(25-18)24-13-14-3-1-4-15(22)11-14/h1-6,11,23H,7-10,12-13H2,(H,24,25)
InChIKeyRFWNWDAZOIFGQL-UHFFFAOYSA-N
XLogP5.04
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.77
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,7-dibromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105442
7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137104906
2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide
CID 149117692
5-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 137105039
N-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 147701031
N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-azepane]-2-imine;ethane
CID 145079494
N-[(3-chlorophenyl)methyl]-7-isocyanospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
CID 147162987
N-[(3-chlorophenyl)methyl]-6,7-dimethoxyspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105266
N-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137122971
N-[(3-chlorophenyl)methyl]-7-fluorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
CID 148501909
3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-6-carbonitrile
CID 137104901
N-[(3-chlorophenyl)methyl]spiro[2,3,6,9-tetrahydro-[1,4]dioxino[2,3-g]quinoline-8,1'-cyclohexane]-7-imine
CID 149124034

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine?
The IUPAC name of 5-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine (CID 149137668) is 5-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine.
What is the SMILES notation for 5-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine?
The canonical SMILES for 5-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine is Clc1cccc(C/N=C2\Nc3cccc(Br)c3CC23CCNCC3)c1.
What is the InChIKey of 5-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine?
The InChIKey is RFWNWDAZOIFGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrClN3/c21-17-5-2-6-18-16(17)12-20(7-9-23-10-8-20)19(25-18)24-13-14-3-1-4-15(22)11-14/h1-6,11,23H,7-10,12-13H2,(H,24,25).
What are the key properties of 5-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine?
5-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine has a molecular weight of 418.77 g/mol, XLogP of 5.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine is sourced from PubChem (CID 149137668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).