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

C14H11N3O2 — CID 2316008

IUPAC4-(pyridine-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccccn2)c2ccccc2N1
InChIInChI=1S/C14H11N3O2/c18-13-9-17(12-7-2-1-5-10(12)16-13)14(19)11-6-3-4-8-15-11/h1-8H,9H2,(H,16,18)
InChIKeyYMNVFZNYZPJBSL-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.68
Rot. Bonds1

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

4-(pyridine-2-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 2316008) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-(pyridine-2-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(pyridine-2-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID2316008
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name4-(pyridine-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccccn2)c2ccccc2N1
InChIInChI=1S/C14H11N3O2/c18-13-9-17(12-7-2-1-5-10(12)16-13)14(19)11-6-3-4-8-15-11/h1-8H,9H2,(H,16,18)
InChIKeyYMNVFZNYZPJBSL-UHFFFAOYSA-N
XLogP1.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridine-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(pyridine-2-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 2316008) is 4-(pyridine-2-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(pyridine-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(pyridine-2-carbonyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2ccccn2)c2ccccc2N1.
What is the InChIKey of 4-(pyridine-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is YMNVFZNYZPJBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-13-9-17(12-7-2-1-5-10(12)16-13)14(19)11-6-3-4-8-15-11/h1-8H,9H2,(H,16,18).
What are the key properties of 4-(pyridine-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(pyridine-2-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 253.26 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridine-2-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2316008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).