2-(3-methoxyphenyl)-1-oxidoquinoxalin-1-ium

C15H12N2O2 — CID 59738579

IUPAC2-(3-methoxyphenyl)-1-oxidoquinoxalin-1-ium
SMILESCOc1cccc(-c2cnc3ccccc3[n+]2[O-])c1
InChIInChI=1S/C15H12N2O2/c1-19-12-6-4-5-11(9-12)15-10-16-13-7-2-3-8-14(13)17(15)18/h2-10H,1H3
InChIKeyFPQCZWISMISAMX-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.54
Rot. Bonds2

About 2-(3-methoxyphenyl)-1-oxidoquinoxalin-1-ium

2-(3-methoxyphenyl)-1-oxidoquinoxalin-1-ium (PubChem CID 59738579) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-oxidoquinoxalin-1-ium.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-oxidoquinoxalin-1-ium
PubChem CID59738579
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-(3-methoxyphenyl)-1-oxidoquinoxalin-1-ium
SMILESCOc1cccc(-c2cnc3ccccc3[n+]2[O-])c1
InChIInChI=1S/C15H12N2O2/c1-19-12-6-4-5-11(9-12)15-10-16-13-7-2-3-8-14(13)17(15)18/h2-10H,1H3
InChIKeyFPQCZWISMISAMX-UHFFFAOYSA-N
XLogP2.54
TPSA49.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)-1-oxidoquinoxalin-1-ium
CID 59738563
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-(3-methoxyphenyl)-3,5-diphenylpyridine
CID 57041799
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-[6-(3-methoxyphenyl)-2-pyridinyl]quinazoline
CID 67688255
3,4-bis(3-methoxyphenyl)isoquinoline
CID 177415076
2-chloro-5-(3-methoxyphenyl)pyridin-3-amine
CID 105495489
2-(3,5-dimethoxyphenyl)quinoxaline
CID 102112241
6,7-bis(4-methoxyphenyl)isoquinolino[2,1-a]quinoxalin-5-ium
CID 177460796
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-oxidoquinoxalin-1-ium?
The IUPAC name of 2-(3-methoxyphenyl)-1-oxidoquinoxalin-1-ium (CID 59738579) is 2-(3-methoxyphenyl)-1-oxidoquinoxalin-1-ium.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-oxidoquinoxalin-1-ium?
The canonical SMILES for 2-(3-methoxyphenyl)-1-oxidoquinoxalin-1-ium is COc1cccc(-c2cnc3ccccc3[n+]2[O-])c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-oxidoquinoxalin-1-ium?
The InChIKey is FPQCZWISMISAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-12-6-4-5-11(9-12)15-10-16-13-7-2-3-8-14(13)17(15)18/h2-10H,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1-oxidoquinoxalin-1-ium?
2-(3-methoxyphenyl)-1-oxidoquinoxalin-1-ium has a molecular weight of 252.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-oxidoquinoxalin-1-ium is sourced from PubChem (CID 59738579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).