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

C21H22Cl2N2 — CID 160811986

IUPACN-[(2,3-dichlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
SMILESClc1cccc(C/N=C2\Nc3ccccc3CC23CCCCC3)c1Cl
InChIInChI=1S/C21H22Cl2N2/c22-17-9-6-8-16(19(17)23)14-24-20-21(11-4-1-5-12-21)13-15-7-2-3-10-18(15)25-20/h2-3,6-10H,1,4-5,11-14H2,(H,24,25)
InChIKeySEKJNEPSFWSOFB-UHFFFAOYSA-N
MW373.33 g/mol
LogP6.51
Rot. Bonds2

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

N-[(2,3-dichlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine (PubChem CID 160811986) has the molecular formula C21H22Cl2N2 and a molecular weight of 373.33 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
PubChem CID160811986
Molecular FormulaC21H22Cl2N2
Molecular Weight373.33 g/mol
Exact Mass372.12
IUPAC NameN-[(2,3-dichlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
SMILESClc1cccc(C/N=C2\Nc3ccccc3CC23CCCCC3)c1Cl
InChIInChI=1S/C21H22Cl2N2/c22-17-9-6-8-16(19(17)23)14-24-20-21(11-4-1-5-12-21)13-15-7-2-3-10-18(15)25-20/h2-3,6-10H,1,4-5,11-14H2,(H,24,25)
InChIKeySEKJNEPSFWSOFB-UHFFFAOYSA-N
XLogP6.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.33
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-ylidene)amino]-N,N-diethylpropan-1-amine
CID 136244460
3-[(5-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-ylidene)amino]-N,N-dimethylpropan-1-amine
CID 136244551
3-[(6-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-ylidene)amino]-N,N-dimethylpropan-1-amine
CID 136254412
N-benzyl-6-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-imine
CID 136239305
6-chloro-N,4,4-trimethyl-1,3-dihydroquinolin-2-imine
CID 136258768
6-chloro-N-ethyl-4,4-dimethyl-1,3-dihydroquinolin-2-imine
CID 136258769
6-chloro-4,4-dimethyl-N-propyl-1,3-dihydroquinolin-2-imine
CID 136244553
6,7-dichloro-N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 146687089
N-[(3-chlorophenyl)methyl]-4'-(trifluoromethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 146859536
N-[(3-chlorophenyl)methyl]-1'-(2,2-difluoroethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
CID 147227447
N-[(3-chlorophenyl)methyl]-6-fluorospiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine
CID 147241636
N-[(3-chlorophenyl)methyl]-1'-(3,3-difluoropropyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
CID 147373767

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine (CID 160811986) is N-[(2,3-dichlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine is Clc1cccc(C/N=C2\Nc3ccccc3CC23CCCCC3)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine?
The InChIKey is SEKJNEPSFWSOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2/c22-17-9-6-8-16(19(17)23)14-24-20-21(11-4-1-5-12-21)13-15-7-2-3-10-18(15)25-20/h2-3,6-10H,1,4-5,11-14H2,(H,24,25).
What are the key properties of N-[(2,3-dichlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine?
N-[(2,3-dichlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine has a molecular weight of 373.33 g/mol, XLogP of 6.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine is sourced from PubChem (CID 160811986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).