N-[1-(2-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine

C21H23ClN2S — CID 153198108

IUPACN-[1-(2-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine
SMILESCC(/N=C1\Nc2ccccc2CC12CCSCC2)c1ccccc1Cl
InChIInChI=1S/C21H23ClN2S/c1-15(17-7-3-4-8-18(17)22)23-20-21(10-12-25-13-11-21)14-16-6-2-5-9-19(16)24-20/h2-9,15H,10-14H2,1H3,(H,23,24)
InChIKeyWJJGEBRABACVJE-UHFFFAOYSA-N
MW370.95 g/mol
LogP5.98
Rot. Bonds2

About N-[1-(2-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine

N-[1-(2-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine (PubChem CID 153198108) has the molecular formula C21H23ClN2S and a molecular weight of 370.95 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine
PubChem CID153198108
Molecular FormulaC21H23ClN2S
Molecular Weight370.95 g/mol
Exact Mass370.13
IUPAC NameN-[1-(2-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine
SMILESCC(/N=C1\Nc2ccccc2CC12CCSCC2)c1ccccc1Cl
InChIInChI=1S/C21H23ClN2S/c1-15(17-7-3-4-8-18(17)22)23-20-21(10-12-25-13-11-21)14-16-6-2-5-9-19(16)24-20/h2-9,15H,10-14H2,1H3,(H,23,24)
InChIKeyWJJGEBRABACVJE-UHFFFAOYSA-N
XLogP5.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.95
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-phenylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
CID 159248930
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine
CID 147232567
N-[(2-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
CID 148619189
N,N-dimethyl-2-[(spiro[1,4-dihydroquinoline-3,4'-thiane]-2-ylideneamino)methyl]benzamide
CID 147873972
N-[(2,3-dichlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 160811986
2-[(1S)-1-(2-chlorophenyl)ethyl]imino-1-thia-3-azaspiro[4.4]nonan-4-one
CID 135989486
N-[(4-chloro-3-methylphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
CID 161018440
N-[(3-chlorophenyl)methyl]-7-methoxyspiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine
CID 159920209
N-[(3-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,3'-azepane]-2-imine
CID 162087932
N-[(1R)-1-(2-chlorophenyl)ethyl]thian-4-amine
CID 81376998
N-[(2-propan-2-ylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137138361
2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,4'-thiane]-6-carboxamide
CID 162119471

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine (CID 153198108) is N-[1-(2-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine is CC(/N=C1\Nc2ccccc2CC12CCSCC2)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine?
The InChIKey is WJJGEBRABACVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2S/c1-15(17-7-3-4-8-18(17)22)23-20-21(10-12-25-13-11-21)14-16-6-2-5-9-19(16)24-20/h2-9,15H,10-14H2,1H3,(H,23,24).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine?
N-[1-(2-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine has a molecular weight of 370.95 g/mol, XLogP of 5.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine is sourced from PubChem (CID 153198108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).