2-(2-methoxy-4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-g]quinoxalin-6-one

C17H14N4O4S — CID 19896798

IUPAC2-(2-methoxy-4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-g]quinoxalin-6-one
SMILESCOc1cc(S(C)(=O)=O)ccc1-c1nc2cc3ncc(=O)[nH]c3cc2[nH]1
InChIInChI=1S/C17H14N4O4S/c1-25-15-5-9(26(2,23)24)3-4-10(15)17-20-13-6-11-12(7-14(13)21-17)19-16(22)8-18-11/h3-8H,1-2H3,(H,19,22)(H,20,21)
InChIKeyKCKNHMXSDKHRCK-UHFFFAOYSA-N
MW370.39 g/mol
LogP1.88
Rot. Bonds3

About 2-(2-methoxy-4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-g]quinoxalin-6-one

2-(2-methoxy-4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-g]quinoxalin-6-one (PubChem CID 19896798) has the molecular formula C17H14N4O4S and a molecular weight of 370.39 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-g]quinoxalin-6-one.

Molecular Properties

Compound Name2-(2-methoxy-4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-g]quinoxalin-6-one
PubChem CID19896798
Molecular FormulaC17H14N4O4S
Molecular Weight370.39 g/mol
Exact Mass370.07
IUPAC Name2-(2-methoxy-4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-g]quinoxalin-6-one
SMILESCOc1cc(S(C)(=O)=O)ccc1-c1nc2cc3ncc(=O)[nH]c3cc2[nH]1
InChIInChI=1S/C17H14N4O4S/c1-25-15-5-9(26(2,23)24)3-4-10(15)17-20-13-6-11-12(7-14(13)21-17)19-16(22)8-18-11/h3-8H,1-2H3,(H,19,22)(H,20,21)
InChIKeyKCKNHMXSDKHRCK-UHFFFAOYSA-N
XLogP1.88
TPSA117.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxy-4-methylsulfonylphenyl)-7,8-dimethyl-3,6-dihydroimidazo[4,5-g]isoquinolin-5-one
CID 67909856
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CID 23325374
2-(4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 166385617
2-(2-bromo-4-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62069158
2-[2-methoxy-4-(methylsulfonylmethyl)phenyl]-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
CID 21272722
[3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl] methanesulfonate
CID 13392816
3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)benzonitrile
CID 75391029
2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62067938
5-chloro-2-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 62069000
3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol
CID 136751588
3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 107793623
3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyridazin-6-one
CID 136710701

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-g]quinoxalin-6-one?
The IUPAC name of 2-(2-methoxy-4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-g]quinoxalin-6-one (CID 19896798) is 2-(2-methoxy-4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-g]quinoxalin-6-one.
What is the SMILES notation for 2-(2-methoxy-4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-g]quinoxalin-6-one?
The canonical SMILES for 2-(2-methoxy-4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-g]quinoxalin-6-one is COc1cc(S(C)(=O)=O)ccc1-c1nc2cc3ncc(=O)[nH]c3cc2[nH]1.
What is the InChIKey of 2-(2-methoxy-4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-g]quinoxalin-6-one?
The InChIKey is KCKNHMXSDKHRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4S/c1-25-15-5-9(26(2,23)24)3-4-10(15)17-20-13-6-11-12(7-14(13)21-17)19-16(22)8-18-11/h3-8H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-(2-methoxy-4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-g]quinoxalin-6-one?
2-(2-methoxy-4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-g]quinoxalin-6-one has a molecular weight of 370.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-g]quinoxalin-6-one is sourced from PubChem (CID 19896798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).