2-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine

C17H15ClN2S — CID 81229147

IUPAC2-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine
SMILESNC(CSc1cccc(Cl)c1)c1cccc2cccnc12
InChIInChI=1S/C17H15ClN2S/c18-13-6-2-7-14(10-13)21-11-16(19)15-8-1-4-12-5-3-9-20-17(12)15/h1-10,16H,11,19H2
InChIKeyNPJYZVBLCNEFQO-UHFFFAOYSA-N
MW314.84 g/mol
LogP4.68
Rot. Bonds4

About 2-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine

2-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine (PubChem CID 81229147) has the molecular formula C17H15ClN2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine
PubChem CID81229147
Molecular FormulaC17H15ClN2S
Molecular Weight314.84 g/mol
Exact Mass314.06
IUPAC Name2-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine
SMILESNC(CSc1cccc(Cl)c1)c1cccc2cccnc12
InChIInChI=1S/C17H15ClN2S/c18-13-6-2-7-14(10-13)21-11-16(19)15-8-1-4-12-5-3-9-20-17(12)15/h1-10,16H,11,19H2
InChIKeyNPJYZVBLCNEFQO-UHFFFAOYSA-N
XLogP4.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine
CID 81229127
2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanamine
CID 105151425
2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66147252
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine
CID 66148494
2-(4-chlorophenoxy)-1-quinolin-8-ylethanamine
CID 105172449
1-quinolin-8-ylbutan-1-amine
CID 79016206
1-quinolin-8-ylhexan-1-amine
CID 105021327
3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine
CID 66146023
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine
CID 106762672
3-amino-3-quinolin-8-ylpropanoic acid
CID 53441937
1-isoquinolin-8-yl-2-phenylsulfanylethanamine
CID 103137237

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine (CID 81229147) is 2-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine is NC(CSc1cccc(Cl)c1)c1cccc2cccnc12.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine?
The InChIKey is NPJYZVBLCNEFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2S/c18-13-6-2-7-14(10-13)21-11-16(19)15-8-1-4-12-5-3-9-20-17(12)15/h1-10,16H,11,19H2.
What are the key properties of 2-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine?
2-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine has a molecular weight of 314.84 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine is sourced from PubChem (CID 81229147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).