4-(3-methylthiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one

C14H12N2O2S — CID 2100758

IUPAC4-(3-methylthiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1ccsc1C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C14H12N2O2S/c1-9-6-7-19-13(9)14(18)16-8-12(17)15-10-4-2-3-5-11(10)16/h2-7H,8H2,1H3,(H,15,17)
InChIKeySNKVXXRYPBRGPX-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.66
Rot. Bonds1

About 4-(3-methylthiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one

4-(3-methylthiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 2100758) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-(3-methylthiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3-methylthiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID2100758
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name4-(3-methylthiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1ccsc1C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C14H12N2O2S/c1-9-6-7-19-13(9)14(18)16-8-12(17)15-10-4-2-3-5-11(10)16/h2-7H,8H2,1H3,(H,15,17)
InChIKeySNKVXXRYPBRGPX-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylthiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3-methylthiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 2100758) is 4-(3-methylthiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3-methylthiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3-methylthiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one is Cc1ccsc1C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(3-methylthiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is SNKVXXRYPBRGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-9-6-7-19-13(9)14(18)16-8-12(17)15-10-4-2-3-5-11(10)16/h2-7H,8H2,1H3,(H,15,17).
What are the key properties of 4-(3-methylthiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(3-methylthiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 272.33 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylthiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2100758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).