2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone

C17H14N2O2 — CID 105088635

IUPAC2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone
SMILESCOc1cccc(CC(=O)c2cccc3nccnc23)c1
InChIInChI=1S/C17H14N2O2/c1-21-13-5-2-4-12(10-13)11-16(20)14-6-3-7-15-17(14)19-9-8-18-15/h2-10H,11H2,1H3
InChIKeyNAOQQEYLXYEMFU-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.06
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone

2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone (PubChem CID 105088635) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone
PubChem CID105088635
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone
SMILESCOc1cccc(CC(=O)c2cccc3nccnc23)c1
InChIInChI=1S/C17H14N2O2/c1-21-13-5-2-4-12(10-13)11-16(20)14-6-3-7-15-17(14)19-9-8-18-15/h2-10H,11H2,1H3
InChIKeyNAOQQEYLXYEMFU-UHFFFAOYSA-N
XLogP3.06
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-4-yl-1-quinoxalin-5-ylethanone
CID 105110514
2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 61078244
1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 15126648
1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 121242102
1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 107469155
2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone
CID 79217516
2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone
CID 105128928
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 61079528
1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61077697
2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone
CID 105081662
1-(2-cyclobutylphenyl)-2-(3-methoxyphenyl)ethanone
CID 114601759

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone (CID 105088635) is 2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone is COc1cccc(CC(=O)c2cccc3nccnc23)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone?
The InChIKey is NAOQQEYLXYEMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-13-5-2-4-12(10-13)11-16(20)14-6-3-7-15-17(14)19-9-8-18-15/h2-10H,11H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone?
2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone has a molecular weight of 278.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone is sourced from PubChem (CID 105088635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).