N-benzylspiro[1,4-dihydroquinoline-3,3'-8-azabicyclo[3.2.1]octane]-2-imine

C22H25N3 — CID 158769067

IUPACN-benzylspiro[1,4-dihydroquinoline-3,3'-8-azabicyclo[3.2.1]octane]-2-imine
SMILESc1ccc(C/N=C2\Nc3ccccc3CC23CC2CCC(C3)N2)cc1
InChIInChI=1S/C22H25N3/c1-2-6-16(7-3-1)15-23-21-22(13-18-10-11-19(14-22)24-18)12-17-8-4-5-9-20(17)25-21/h1-9,18-19,24H,10-15H2,(H,23,25)
InChIKeyJKZLRLWNALKMGE-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.15
Rot. Bonds2

About N-benzylspiro[1,4-dihydroquinoline-3,3'-8-azabicyclo[3.2.1]octane]-2-imine

N-benzylspiro[1,4-dihydroquinoline-3,3'-8-azabicyclo[3.2.1]octane]-2-imine (PubChem CID 158769067) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-benzylspiro[1,4-dihydroquinoline-3,3'-8-azabicyclo[3.2.1]octane]-2-imine.

Molecular Properties

Compound NameN-benzylspiro[1,4-dihydroquinoline-3,3'-8-azabicyclo[3.2.1]octane]-2-imine
PubChem CID158769067
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC NameN-benzylspiro[1,4-dihydroquinoline-3,3'-8-azabicyclo[3.2.1]octane]-2-imine
SMILESc1ccc(C/N=C2\Nc3ccccc3CC23CC2CCC(C3)N2)cc1
InChIInChI=1S/C22H25N3/c1-2-6-16(7-3-1)15-23-21-22(13-18-10-11-19(14-22)24-18)12-17-8-4-5-9-20(17)25-21/h1-9,18-19,24H,10-15H2,(H,23,25)
InChIKeyJKZLRLWNALKMGE-UHFFFAOYSA-N
XLogP4.15
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzylspiro[1,4-dihydroquinoline-3,3'-8-azabicyclo[3.2.1]octane]-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 147701031
4-[(spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzonitrile
CID 159775333
2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-cyclohexane]-1'-yl]oxyethanamine
CID 153160658
N-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
CID 146922887
1-amino-N-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-cyclohexane]-1'-yl]methanesulfonamide
CID 149154308
11-N,28-N-dibenzyl-10,12,27,29-tetrazapentacyclo[28.4.0.04,9.013,18.021,26]tetratriaconta-1(34),4,6,8,13,15,17,21,23,25,30,32-dodecaene-11,28-diimine
CID 136732292
N-[(3-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,3'-azepane]-2-imine
CID 162087932
2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine
CID 153104719
N-benzyl-6,7-dichlorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
CID 158802583
N-benzyl-3-(4-chlorophenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride
CID 135417149
N-[(4-chloro-3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
CID 161018440
N-benzyl-6,7-dichlorospiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;N-(2,3-dihydro-1H-inden-1-yl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine;N-[2-(3H-inden-1-yl)ethyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine;N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,3'-8-azabicyclo[3.2.1]octane]-2-imine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine;N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
CID 160783933

Frequently Asked Questions

What is the IUPAC name of N-benzylspiro[1,4-dihydroquinoline-3,3'-8-azabicyclo[3.2.1]octane]-2-imine?
The IUPAC name of N-benzylspiro[1,4-dihydroquinoline-3,3'-8-azabicyclo[3.2.1]octane]-2-imine (CID 158769067) is N-benzylspiro[1,4-dihydroquinoline-3,3'-8-azabicyclo[3.2.1]octane]-2-imine.
What is the SMILES notation for N-benzylspiro[1,4-dihydroquinoline-3,3'-8-azabicyclo[3.2.1]octane]-2-imine?
The canonical SMILES for N-benzylspiro[1,4-dihydroquinoline-3,3'-8-azabicyclo[3.2.1]octane]-2-imine is c1ccc(C/N=C2\Nc3ccccc3CC23CC2CCC(C3)N2)cc1.
What is the InChIKey of N-benzylspiro[1,4-dihydroquinoline-3,3'-8-azabicyclo[3.2.1]octane]-2-imine?
The InChIKey is JKZLRLWNALKMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-2-6-16(7-3-1)15-23-21-22(13-18-10-11-19(14-22)24-18)12-17-8-4-5-9-20(17)25-21/h1-9,18-19,24H,10-15H2,(H,23,25).
What are the key properties of N-benzylspiro[1,4-dihydroquinoline-3,3'-8-azabicyclo[3.2.1]octane]-2-imine?
N-benzylspiro[1,4-dihydroquinoline-3,3'-8-azabicyclo[3.2.1]octane]-2-imine has a molecular weight of 331.46 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylspiro[1,4-dihydroquinoline-3,3'-8-azabicyclo[3.2.1]octane]-2-imine is sourced from PubChem (CID 158769067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).