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

C17H12N2O3 — CID 2526893

IUPAC4-(1-benzofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cc3ccccc3o2)c2ccccc2N1
InChIInChI=1S/C17H12N2O3/c20-16-10-19(13-7-3-2-6-12(13)18-16)17(21)15-9-11-5-1-4-8-14(11)22-15/h1-9H,10H2,(H,18,20)
InChIKeyJJZIQMPGYNVDCM-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.03
Rot. Bonds1

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

4-(1-benzofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 2526893) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-(1-benzofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(1-benzofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID2526893
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name4-(1-benzofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cc3ccccc3o2)c2ccccc2N1
InChIInChI=1S/C17H12N2O3/c20-16-10-19(13-7-3-2-6-12(13)18-16)17(21)15-9-11-5-1-4-8-14(11)22-15/h1-9H,10H2,(H,18,20)
InChIKeyJJZIQMPGYNVDCM-UHFFFAOYSA-N
XLogP3.03
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(1-benzofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 2526893) is 4-(1-benzofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(1-benzofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(1-benzofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2cc3ccccc3o2)c2ccccc2N1.
What is the InChIKey of 4-(1-benzofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is JJZIQMPGYNVDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-16-10-19(13-7-3-2-6-12(13)18-16)17(21)15-9-11-5-1-4-8-14(11)22-15/h1-9H,10H2,(H,18,20).
What are the key properties of 4-(1-benzofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(1-benzofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 292.29 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2526893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).