(3-methylsulfanylquinoxalin-2-yl)-phenylmethanone

C16H12N2OS — CID 13162440

IUPAC(3-methylsulfanylquinoxalin-2-yl)-phenylmethanone
SMILESCSc1nc2ccccc2nc1C(=O)c1ccccc1
InChIInChI=1S/C16H12N2OS/c1-20-16-14(15(19)11-7-3-2-4-8-11)17-12-9-5-6-10-13(12)18-16/h2-10H,1H3
InChIKeyMVNRQPLNXZPDCT-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.58
Rot. Bonds3

About (3-methylsulfanylquinoxalin-2-yl)-phenylmethanone

(3-methylsulfanylquinoxalin-2-yl)-phenylmethanone (PubChem CID 13162440) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is (3-methylsulfanylquinoxalin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-methylsulfanylquinoxalin-2-yl)-phenylmethanone
PubChem CID13162440
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name(3-methylsulfanylquinoxalin-2-yl)-phenylmethanone
SMILESCSc1nc2ccccc2nc1C(=O)c1ccccc1
InChIInChI=1S/C16H12N2OS/c1-20-16-14(15(19)11-7-3-2-4-8-11)17-12-9-5-6-10-13(12)18-16/h2-10H,1H3
InChIKeyMVNRQPLNXZPDCT-UHFFFAOYSA-N
XLogP3.58
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethanone, 1-phenyl-2-(2-quinolinylthio)-
CID 264065
2-((4-Methyl-2-quinolinyl)thio)-1-phenylethanone
CID 264064
1-(4-Fluorophenyl)-2-quinoxalin-2-ylthioethan-1-one
CID 2359893
2-(3-Methylquinoxalin-2-yl)sulfanyl-1-phenylethanone
CID 5086070
N-(3-Acetylphenyl)-2-({3-[(4-fluorophenyl)methyl]quinoxalin-2-YL}sulfanyl)acetamide
CID 16030587
Phenyl-(3-phenylquinoxalin-2-yl)methanone
CID 314065
Ethanone, 1-phenyl-2-(2-quinolinylthio)-, hydrochloride
CID 3077592
N-[4-[2-(3-methylquinoxalin-2-yl)sulfanylacetyl]phenyl]methanesulfonamide
CID 25335082
Phenyl[3-(trifluoromethyl)quinoxalin-2-yl]methanone
CID 53248498
3-(4-Fluorophenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one
CID 71589084
2-propyl-2H-phenazin-1-one
CID 53435582
2-Cinnamoyl-3-methylquinoxaline
CID 12752616

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfanylquinoxalin-2-yl)-phenylmethanone?
The IUPAC name of (3-methylsulfanylquinoxalin-2-yl)-phenylmethanone (CID 13162440) is (3-methylsulfanylquinoxalin-2-yl)-phenylmethanone.
What is the SMILES notation for (3-methylsulfanylquinoxalin-2-yl)-phenylmethanone?
The canonical SMILES for (3-methylsulfanylquinoxalin-2-yl)-phenylmethanone is CSc1nc2ccccc2nc1C(=O)c1ccccc1.
What is the InChIKey of (3-methylsulfanylquinoxalin-2-yl)-phenylmethanone?
The InChIKey is MVNRQPLNXZPDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c1-20-16-14(15(19)11-7-3-2-4-8-11)17-12-9-5-6-10-13(12)18-16/h2-10H,1H3.
What are the key properties of (3-methylsulfanylquinoxalin-2-yl)-phenylmethanone?
(3-methylsulfanylquinoxalin-2-yl)-phenylmethanone has a molecular weight of 280.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfanylquinoxalin-2-yl)-phenylmethanone is sourced from PubChem (CID 13162440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).