7-chloro-N-cyclohexyl-3-methylsulfanylquinoxalin-2-amine

C15H18ClN3S — CID 118726524

IUPAC7-chloro-N-cyclohexyl-3-methylsulfanylquinoxalin-2-amine
SMILESCSc1nc2ccc(Cl)cc2nc1NC1CCCCC1
InChIInChI=1S/C15H18ClN3S/c1-20-15-14(17-11-5-3-2-4-6-11)18-13-9-10(16)7-8-12(13)19-15/h7-9,11H,2-6H2,1H3,(H,17,18)
InChIKeyLXDSBMXLWOEHFL-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.75
Rot. Bonds3

About 7-chloro-N-cyclohexyl-3-methylsulfanylquinoxalin-2-amine

7-chloro-N-cyclohexyl-3-methylsulfanylquinoxalin-2-amine (PubChem CID 118726524) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is 7-chloro-N-cyclohexyl-3-methylsulfanylquinoxalin-2-amine.

Molecular Properties

Compound Name7-chloro-N-cyclohexyl-3-methylsulfanylquinoxalin-2-amine
PubChem CID118726524
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name7-chloro-N-cyclohexyl-3-methylsulfanylquinoxalin-2-amine
SMILESCSc1nc2ccc(Cl)cc2nc1NC1CCCCC1
InChIInChI=1S/C15H18ClN3S/c1-20-15-14(17-11-5-3-2-4-6-11)18-13-9-10(16)7-8-12(13)19-15/h7-9,11H,2-6H2,1H3,(H,17,18)
InChIKeyLXDSBMXLWOEHFL-UHFFFAOYSA-N
XLogP4.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-cyclohexyl-3-methylsulfanylquinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-cyclohexyl-3-methylsulfanylquinoxalin-2-amine?
The IUPAC name of 7-chloro-N-cyclohexyl-3-methylsulfanylquinoxalin-2-amine (CID 118726524) is 7-chloro-N-cyclohexyl-3-methylsulfanylquinoxalin-2-amine.
What is the SMILES notation for 7-chloro-N-cyclohexyl-3-methylsulfanylquinoxalin-2-amine?
The canonical SMILES for 7-chloro-N-cyclohexyl-3-methylsulfanylquinoxalin-2-amine is CSc1nc2ccc(Cl)cc2nc1NC1CCCCC1.
What is the InChIKey of 7-chloro-N-cyclohexyl-3-methylsulfanylquinoxalin-2-amine?
The InChIKey is LXDSBMXLWOEHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c1-20-15-14(17-11-5-3-2-4-6-11)18-13-9-10(16)7-8-12(13)19-15/h7-9,11H,2-6H2,1H3,(H,17,18).
What are the key properties of 7-chloro-N-cyclohexyl-3-methylsulfanylquinoxalin-2-amine?
7-chloro-N-cyclohexyl-3-methylsulfanylquinoxalin-2-amine has a molecular weight of 307.85 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-cyclohexyl-3-methylsulfanylquinoxalin-2-amine is sourced from PubChem (CID 118726524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).