2-pyridin-4-yl-1-quinoxalin-5-ylethanone

C15H11N3O — CID 105110514

IUPAC2-pyridin-4-yl-1-quinoxalin-5-ylethanone
SMILESO=C(Cc1ccncc1)c1cccc2nccnc12
InChIInChI=1S/C15H11N3O/c19-14(10-11-4-6-16-7-5-11)12-2-1-3-13-15(12)18-9-8-17-13/h1-9H,10H2
InChIKeySTLHOKBOAXPBEN-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.45
Rot. Bonds3

About 2-pyridin-4-yl-1-quinoxalin-5-ylethanone

2-pyridin-4-yl-1-quinoxalin-5-ylethanone (PubChem CID 105110514) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-pyridin-4-yl-1-quinoxalin-5-ylethanone.

Molecular Properties

Compound Name2-pyridin-4-yl-1-quinoxalin-5-ylethanone
PubChem CID105110514
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name2-pyridin-4-yl-1-quinoxalin-5-ylethanone
SMILESO=C(Cc1ccncc1)c1cccc2nccnc12
InChIInChI=1S/C15H11N3O/c19-14(10-11-4-6-16-7-5-11)12-2-1-3-13-15(12)18-9-8-17-13/h1-9H,10H2
InChIKeySTLHOKBOAXPBEN-UHFFFAOYSA-N
XLogP2.45
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone
CID 105128928
2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone
CID 105088635
1-quinoxalin-5-ylbut-3-en-1-one
CID 105083186
2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone
CID 105081662
2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone
CID 105128796
2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone
CID 105088874
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
1-(2-aminophenyl)-2-pyridin-4-ylethanone;hydrochloride
CID 173093690
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone
CID 105110375
2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone
CID 105112201
3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one
CID 114192891
2-(4-iodophenyl)-1-quinolin-8-ylethanone
CID 105103153

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-1-quinoxalin-5-ylethanone?
The IUPAC name of 2-pyridin-4-yl-1-quinoxalin-5-ylethanone (CID 105110514) is 2-pyridin-4-yl-1-quinoxalin-5-ylethanone.
What is the SMILES notation for 2-pyridin-4-yl-1-quinoxalin-5-ylethanone?
The canonical SMILES for 2-pyridin-4-yl-1-quinoxalin-5-ylethanone is O=C(Cc1ccncc1)c1cccc2nccnc12.
What is the InChIKey of 2-pyridin-4-yl-1-quinoxalin-5-ylethanone?
The InChIKey is STLHOKBOAXPBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c19-14(10-11-4-6-16-7-5-11)12-2-1-3-13-15(12)18-9-8-17-13/h1-9H,10H2.
What are the key properties of 2-pyridin-4-yl-1-quinoxalin-5-ylethanone?
2-pyridin-4-yl-1-quinoxalin-5-ylethanone has a molecular weight of 249.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-1-quinoxalin-5-ylethanone is sourced from PubChem (CID 105110514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).