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

C13H10N2O2S — CID 2142327

IUPAC4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cccs2)c2ccccc2N1
InChIInChI=1S/C13H10N2O2S/c16-12-8-15(13(17)11-6-3-7-18-11)10-5-2-1-4-9(10)14-12/h1-7H,8H2,(H,14,16)
InChIKeyYOXQGYRAZXKTTC-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.35
Rot. Bonds1

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

4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 2142327) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID2142327
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cccs2)c2ccccc2N1
InChIInChI=1S/C13H10N2O2S/c16-12-8-15(13(17)11-6-3-7-18-11)10-5-2-1-4-9(10)14-12/h1-7H,8H2,(H,14,16)
InChIKeyYOXQGYRAZXKTTC-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 2142327) is 4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2cccs2)c2ccccc2N1.
What is the InChIKey of 4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is YOXQGYRAZXKTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c16-12-8-15(13(17)11-6-3-7-18-11)10-5-2-1-4-9(10)14-12/h1-7H,8H2,(H,14,16).
What are the key properties of 4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 258.30 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2142327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).