4-[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]-1,3-dihydroquinoxalin-2-one

C19H16N2O3S — CID 17472214

IUPAC4-[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESCSCc1c(C(=O)N2CC(=O)Nc3ccccc32)oc2ccccc12
InChIInChI=1S/C19H16N2O3S/c1-25-11-13-12-6-2-5-9-16(12)24-18(13)19(23)21-10-17(22)20-14-7-3-4-8-15(14)21/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyQQZCYQMBMNARFT-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.89
Rot. Bonds3

About 4-[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]-1,3-dihydroquinoxalin-2-one

4-[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 17472214) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]-1,3-dihydroquinoxalin-2-one
PubChem CID17472214
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name4-[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESCSCc1c(C(=O)N2CC(=O)Nc3ccccc32)oc2ccccc12
InChIInChI=1S/C19H16N2O3S/c1-25-11-13-12-6-2-5-9-16(12)24-18(13)19(23)21-10-17(22)20-14-7-3-4-8-15(14)21/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyQQZCYQMBMNARFT-UHFFFAOYSA-N
XLogP3.89
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-oxobenzo[f]chromene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863949
4-(5-ethylfuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 47170039
4-(5-methylfuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 2475308
4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16863988
4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 75415390
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 30094711
4-[4-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43333513
4-(1,3-dimethylpyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 103662293
4-[2-(methylaminomethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 69226926
4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane
CID 170568760
2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate
CID 79345427

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]-1,3-dihydroquinoxalin-2-one (CID 17472214) is 4-[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]-1,3-dihydroquinoxalin-2-one is CSCc1c(C(=O)N2CC(=O)Nc3ccccc32)oc2ccccc12.
What is the InChIKey of 4-[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is QQZCYQMBMNARFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-25-11-13-12-6-2-5-9-16(12)24-18(13)19(23)21-10-17(22)20-14-7-3-4-8-15(14)21/h2-9H,10-11H2,1H3,(H,20,22).
What are the key properties of 4-[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]-1,3-dihydroquinoxalin-2-one?
4-[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 352.42 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 17472214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).