4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one

C16H14N2O2S — CID 16863988

IUPAC4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCSc1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C16H14N2O2S/c1-21-12-6-4-5-11(9-12)16(20)18-10-15(19)17-13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,17,19)
InChIKeyKRBBCNWZENEZNA-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.01
Rot. Bonds2

About 4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one

4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 16863988) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID16863988
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCSc1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C16H14N2O2S/c1-21-12-6-4-5-11(9-12)16(20)18-10-15(19)17-13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,17,19)
InChIKeyKRBBCNWZENEZNA-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 3159804
4-[3-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43156396
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 26263034
4-(3,4-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 103956224
4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 63195251
4-(2-methylpyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 106753524
4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 30713300
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863954
4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863960
4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 110667501
4-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 71925846

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one (CID 16863988) is 4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one is CSc1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1.
What is the InChIKey of 4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is KRBBCNWZENEZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-21-12-6-4-5-11(9-12)16(20)18-10-15(19)17-13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of 4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one?
4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 298.37 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 16863988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).