2-[(2-chlorophenyl)methylsulfanyl]quinolin-6-amine

C16H13ClN2S — CID 103288249

IUPAC2-[(2-chlorophenyl)methylsulfanyl]quinolin-6-amine
SMILESNc1ccc2nc(SCc3ccccc3Cl)ccc2c1
InChIInChI=1S/C16H13ClN2S/c17-14-4-2-1-3-12(14)10-20-16-8-5-11-9-13(18)6-7-15(11)19-16/h1-9H,10,18H2
InChIKeyUSRRPHZUTSJEGL-UHFFFAOYSA-N
MW300.81 g/mol
LogP4.76
Rot. Bonds3

About 2-[(2-chlorophenyl)methylsulfanyl]quinolin-6-amine

2-[(2-chlorophenyl)methylsulfanyl]quinolin-6-amine (PubChem CID 103288249) has the molecular formula C16H13ClN2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]quinolin-6-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]quinolin-6-amine
PubChem CID103288249
Molecular FormulaC16H13ClN2S
Molecular Weight300.81 g/mol
Exact Mass300.05
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]quinolin-6-amine
SMILESNc1ccc2nc(SCc3ccccc3Cl)ccc2c1
InChIInChI=1S/C16H13ClN2S/c17-14-4-2-1-3-12(14)10-20-16-8-5-11-9-13(18)6-7-15(11)19-16/h1-9H,10,18H2
InChIKeyUSRRPHZUTSJEGL-UHFFFAOYSA-N
XLogP4.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-chlorophenyl)methylsulfanyl]quinolin-6-amine 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

4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine
CID 103288736
3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine
CID 103289804
2-(3-chlorophenyl)sulfanylquinolin-6-amine
CID 63537054
6-[(2-chlorophenyl)methylsulfanyl]-4-N-methylpyrimidine-2,4-diamine
CID 103291468
2-[(2-chloro-3-pyridinyl)sulfanyl]quinolin-6-amine
CID 155587951
ethyl 2-(6-aminoquinolin-2-yl)sulfanylacetate
CID 43618250
[6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine
CID 103291602
4-benzylsulfanyl-6-[(2-chlorophenyl)methylsulfanyl]pyrimidine
CID 95918204
tert-butyl 2-(6-aminoquinolin-2-yl)sulfanylacetate
CID 116686764
2-tert-butyl-6-[(2-chlorophenyl)methylsulfanyl]-N-methylpyrimidin-4-amine
CID 103291531
N-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide
CID 7755233
[6-[(2-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 103291599

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]quinolin-6-amine?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]quinolin-6-amine (CID 103288249) is 2-[(2-chlorophenyl)methylsulfanyl]quinolin-6-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]quinolin-6-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]quinolin-6-amine is Nc1ccc2nc(SCc3ccccc3Cl)ccc2c1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]quinolin-6-amine?
The InChIKey is USRRPHZUTSJEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2S/c17-14-4-2-1-3-12(14)10-20-16-8-5-11-9-13(18)6-7-15(11)19-16/h1-9H,10,18H2.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]quinolin-6-amine?
2-[(2-chlorophenyl)methylsulfanyl]quinolin-6-amine has a molecular weight of 300.81 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]quinolin-6-amine is sourced from PubChem (CID 103288249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).