4-hydroxy-3-(2-methylsulfanylethyl)-1,3-dihydroquinoxalin-2-one

C11H14N2O2S — CID 69327612

IUPAC4-hydroxy-3-(2-methylsulfanylethyl)-1,3-dihydroquinoxalin-2-one
SMILESCSCCC1C(=O)Nc2ccccc2N1O
InChIInChI=1S/C11H14N2O2S/c1-16-7-6-10-11(14)12-8-4-2-3-5-9(8)13(10)15/h2-5,10,15H,6-7H2,1H3,(H,12,14)
InChIKeyZZORPVGYVYDSDP-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.96
Rot. Bonds3

About 4-hydroxy-3-(2-methylsulfanylethyl)-1,3-dihydroquinoxalin-2-one

4-hydroxy-3-(2-methylsulfanylethyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 69327612) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-hydroxy-3-(2-methylsulfanylethyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-methylsulfanylethyl)-1,3-dihydroquinoxalin-2-one
PubChem CID69327612
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name4-hydroxy-3-(2-methylsulfanylethyl)-1,3-dihydroquinoxalin-2-one
SMILESCSCCC1C(=O)Nc2ccccc2N1O
InChIInChI=1S/C11H14N2O2S/c1-16-7-6-10-11(14)12-8-4-2-3-5-9(8)13(10)15/h2-5,10,15H,6-7H2,1H3,(H,12,14)
InChIKeyZZORPVGYVYDSDP-UHFFFAOYSA-N
XLogP1.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-4-trimethylsilyl-1,3-dihydroquinoxalin-2-one
CID 91735401
3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 170319935
(3S)-4-(3-chloropropanoyl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 155924384
methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate
CID 86593353
(2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide
CID 177274192
3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide
CID 170319902
(3S)-4-[6-(dimethylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
CID 177274219
(2aR)-2a,4-dihydro-2H-azeto[1,2-a]quinoxaline-1,3-dione
CID 29021487
N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1095970
2-(3-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)acetic acid
CID 119994276
2-[[4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]-4-methylsulfanylbutanoic acid
CID 44667939
(3S)-3-benzyl-4-(3-methylsulfanylpropyl)piperazin-2-one
CID 77091485

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-methylsulfanylethyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-hydroxy-3-(2-methylsulfanylethyl)-1,3-dihydroquinoxalin-2-one (CID 69327612) is 4-hydroxy-3-(2-methylsulfanylethyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-methylsulfanylethyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-hydroxy-3-(2-methylsulfanylethyl)-1,3-dihydroquinoxalin-2-one is CSCCC1C(=O)Nc2ccccc2N1O.
What is the InChIKey of 4-hydroxy-3-(2-methylsulfanylethyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is ZZORPVGYVYDSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-16-7-6-10-11(14)12-8-4-2-3-5-9(8)13(10)15/h2-5,10,15H,6-7H2,1H3,(H,12,14).
What are the key properties of 4-hydroxy-3-(2-methylsulfanylethyl)-1,3-dihydroquinoxalin-2-one?
4-hydroxy-3-(2-methylsulfanylethyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 238.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-methylsulfanylethyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 69327612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).