8-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride

C15H15Cl2NS — CID 14281248

IUPAC8-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride
SMILESCl.Clc1ccc(SC2CCCc3cccnc32)cc1
InChIInChI=1S/C15H14ClNS.ClH/c16-12-6-8-13(9-7-12)18-14-5-1-3-11-4-2-10-17-15(11)14;/h2,4,6-10,14H,1,3,5H2;1H
InChIKeyBXCYUBXHIJTJNN-UHFFFAOYSA-N
MW312.26 g/mol
LogP5.33
Rot. Bonds2

About 8-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride

8-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride (PubChem CID 14281248) has the molecular formula C15H15Cl2NS and a molecular weight of 312.26 g/mol. Its IUPAC name is 8-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride.

Molecular Properties

Compound Name8-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride
PubChem CID14281248
Molecular FormulaC15H15Cl2NS
Molecular Weight312.26 g/mol
Exact Mass311.03
IUPAC Name8-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride
SMILESCl.Clc1ccc(SC2CCCc3cccnc32)cc1
InChIInChI=1S/C15H14ClNS.ClH/c16-12-6-8-13(9-7-12)18-14-5-1-3-11-4-2-10-17-15(11)14;/h2,4,6-10,14H,1,3,5H2;1H
InChIKeyBXCYUBXHIJTJNN-UHFFFAOYSA-N
XLogP5.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.26
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride 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

8-phenylsulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride
CID 14281267
8-(4-butoxyphenyl)sulfanyl-5,6,7,8-tetrahydroquinoline
CID 14281273
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532
trimethyl(5,6,7,8-tetrahydroquinolin-8-yl)silane
CID 130535889
(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79746175
(2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 115818219
N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079828
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride?
The IUPAC name of 8-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride (CID 14281248) is 8-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride.
What is the SMILES notation for 8-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride?
The canonical SMILES for 8-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride is Cl.Clc1ccc(SC2CCCc3cccnc32)cc1.
What is the InChIKey of 8-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride?
The InChIKey is BXCYUBXHIJTJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNS.ClH/c16-12-6-8-13(9-7-12)18-14-5-1-3-11-4-2-10-17-15(11)14;/h2,4,6-10,14H,1,3,5H2;1H.
What are the key properties of 8-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride?
8-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride has a molecular weight of 312.26 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 14281248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).