1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one

C16H14N2OS — CID 56693755

IUPAC1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one
SMILESCSCn1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C16H14N2OS/c1-20-11-18-14-10-6-5-9-13(14)17-15(16(18)19)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyCZSBLPVZXVWOJY-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.38
Rot. Bonds3

About 1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one

1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one (PubChem CID 56693755) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one.

Molecular Properties

Compound Name1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one
PubChem CID56693755
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one
SMILESCSCn1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C16H14N2OS/c1-20-11-18-14-10-6-5-9-13(14)17-15(16(18)19)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyCZSBLPVZXVWOJY-UHFFFAOYSA-N
XLogP3.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1-prop-2-enylquinoxalin-2-one
CID 67231173
1-[[(2R)-oxiran-2-yl]methyl]-3-phenylquinoxalin-2-one;1-[[(2S)-oxiran-2-yl]methyl]-3-phenylquinoxalin-2-one
CID 139052098
N,N-dimethyl-2-oxo-3-phenylquinoxaline-1-carboxamide
CID 24956253
1-(methylsulfanylmethyl)quinoxalin-2-one
CID 56689697
4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide
CID 50838506
3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one
CID 158009502
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid
CID 134154466
1-ethyl-3-thiophen-2-ylquinoxalin-2-one
CID 90202221
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
3-(4-bromophenyl)-1-methylquinoxalin-2-one
CID 132610080
2-phenyl-3-(1-propylbenzimidazol-2-yl)quinoxaline
CID 4527430

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one?
The IUPAC name of 1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one (CID 56693755) is 1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one.
What is the SMILES notation for 1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one?
The canonical SMILES for 1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one is CSCn1c(=O)c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one?
The InChIKey is CZSBLPVZXVWOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-20-11-18-14-10-6-5-9-13(14)17-15(16(18)19)12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of 1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one?
1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one has a molecular weight of 282.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one is sourced from PubChem (CID 56693755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).