6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfanylquinoxalin-2-amine

C17H14Cl2FN3S — CID 142006552

IUPAC6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfanylquinoxalin-2-amine
SMILESCSc1nc2cc(Cl)c(Cl)cc2nc1NCCc1cccc(F)c1
InChIInChI=1S/C17H14Cl2FN3S/c1-24-17-16(21-6-5-10-3-2-4-11(20)7-10)22-14-8-12(18)13(19)9-15(14)23-17/h2-4,7-9H,5-6H2,1H3,(H,21,22)
InChIKeyKGNYUQGITLUSMR-UHFFFAOYSA-N
MW382.29 g/mol
LogP5.45
Rot. Bonds5

About 6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfanylquinoxalin-2-amine

6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfanylquinoxalin-2-amine (PubChem CID 142006552) has the molecular formula C17H14Cl2FN3S and a molecular weight of 382.29 g/mol. Its IUPAC name is 6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfanylquinoxalin-2-amine.

Molecular Properties

Compound Name6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfanylquinoxalin-2-amine
PubChem CID142006552
Molecular FormulaC17H14Cl2FN3S
Molecular Weight382.29 g/mol
Exact Mass381.03
IUPAC Name6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfanylquinoxalin-2-amine
SMILESCSc1nc2cc(Cl)c(Cl)cc2nc1NCCc1cccc(F)c1
InChIInChI=1S/C17H14Cl2FN3S/c1-24-17-16(21-6-5-10-3-2-4-11(20)7-10)22-14-8-12(18)13(19)9-15(14)23-17/h2-4,7-9H,5-6H2,1H3,(H,21,22)
InChIKeyKGNYUQGITLUSMR-UHFFFAOYSA-N
XLogP5.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.29
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfanylquinoxalin-2-amine?
The IUPAC name of 6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfanylquinoxalin-2-amine (CID 142006552) is 6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfanylquinoxalin-2-amine.
What is the SMILES notation for 6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfanylquinoxalin-2-amine?
The canonical SMILES for 6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfanylquinoxalin-2-amine is CSc1nc2cc(Cl)c(Cl)cc2nc1NCCc1cccc(F)c1.
What is the InChIKey of 6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfanylquinoxalin-2-amine?
The InChIKey is KGNYUQGITLUSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FN3S/c1-24-17-16(21-6-5-10-3-2-4-11(20)7-10)22-14-8-12(18)13(19)9-15(14)23-17/h2-4,7-9H,5-6H2,1H3,(H,21,22).
What are the key properties of 6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfanylquinoxalin-2-amine?
6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfanylquinoxalin-2-amine has a molecular weight of 382.29 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfanylquinoxalin-2-amine is sourced from PubChem (CID 142006552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).