2-[(7-bromo-3-methylsulfanylquinoxalin-2-yl)amino]ethanol

C11H12BrN3OS — CID 118726521

IUPAC2-[(7-bromo-3-methylsulfanylquinoxalin-2-yl)amino]ethanol
SMILESCSc1nc2ccc(Br)cc2nc1NCCO
InChIInChI=1S/C11H12BrN3OS/c1-17-11-10(13-4-5-16)14-9-6-7(12)2-3-8(9)15-11/h2-3,6,16H,4-5H2,1H3,(H,13,14)
InChIKeyJHSMMLGTOWNEBM-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.52
Rot. Bonds4

About 2-[(7-bromo-3-methylsulfanylquinoxalin-2-yl)amino]ethanol

2-[(7-bromo-3-methylsulfanylquinoxalin-2-yl)amino]ethanol (PubChem CID 118726521) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 2-[(7-bromo-3-methylsulfanylquinoxalin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(7-bromo-3-methylsulfanylquinoxalin-2-yl)amino]ethanol
PubChem CID118726521
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name2-[(7-bromo-3-methylsulfanylquinoxalin-2-yl)amino]ethanol
SMILESCSc1nc2ccc(Br)cc2nc1NCCO
InChIInChI=1S/C11H12BrN3OS/c1-17-11-10(13-4-5-16)14-9-6-7(12)2-3-8(9)15-11/h2-3,6,16H,4-5H2,1H3,(H,13,14)
InChIKeyJHSMMLGTOWNEBM-UHFFFAOYSA-N
XLogP2.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-N-butyl-3-methylsulfonylquinoxalin-2-amine
CID 118726536
2-[(7-Bromo-3-methylsulfonylquinoxalin-2-yl)amino]ethanol
CID 118726537
2-[(3-Methylsulfonylquinoxalin-2-yl)amino]ethanol
CID 118726529
N-butyl-3-methylsulfanylquinoxalin-2-amine
CID 118726512
2-[(3-Methylsulfanylquinoxalin-2-yl)amino]ethanol
CID 118726513
7-bromo-N-butyl-3-methylsulfanylquinoxalin-2-amine
CID 118726520
N-(3-Bromophenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332631
[5-Bromo-3-(propan-2-ylamino)quinoxalin-2-yl]methanol
CID 123600812
N-ethyl-3-methylsulfanylquinoxalin-2-amine
CID 119094351
3-methylsulfanyl-N-prop-2-enylquinoxalin-2-amine
CID 119094636
3-methylsulfanyl-N-propylquinoxalin-2-amine
CID 119095091

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-3-methylsulfanylquinoxalin-2-yl)amino]ethanol?
The IUPAC name of 2-[(7-bromo-3-methylsulfanylquinoxalin-2-yl)amino]ethanol (CID 118726521) is 2-[(7-bromo-3-methylsulfanylquinoxalin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(7-bromo-3-methylsulfanylquinoxalin-2-yl)amino]ethanol?
The canonical SMILES for 2-[(7-bromo-3-methylsulfanylquinoxalin-2-yl)amino]ethanol is CSc1nc2ccc(Br)cc2nc1NCCO.
What is the InChIKey of 2-[(7-bromo-3-methylsulfanylquinoxalin-2-yl)amino]ethanol?
The InChIKey is JHSMMLGTOWNEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-17-11-10(13-4-5-16)14-9-6-7(12)2-3-8(9)15-11/h2-3,6,16H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-[(7-bromo-3-methylsulfanylquinoxalin-2-yl)amino]ethanol?
2-[(7-bromo-3-methylsulfanylquinoxalin-2-yl)amino]ethanol has a molecular weight of 314.21 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-bromo-3-methylsulfanylquinoxalin-2-yl)amino]ethanol is sourced from PubChem (CID 118726521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).