(1-oxido-4-oxoquinoxalin-4-ium-2-yl)-phenylmethanone

C15H10N2O3 — CID 13098158

IUPAC(1-oxido-4-oxoquinoxalin-4-ium-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c[n+](=O)c2ccccc2n1[O-]
InChIInChI=1S/C15H10N2O3/c18-15(11-6-2-1-3-7-11)14-10-16(19)12-8-4-5-9-13(12)17(14)20/h1-10H
InChIKeyCUJWKVLZTDWUGI-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.13
Rot. Bonds2

About (1-oxido-4-oxoquinoxalin-4-ium-2-yl)-phenylmethanone

(1-oxido-4-oxoquinoxalin-4-ium-2-yl)-phenylmethanone (PubChem CID 13098158) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is (1-oxido-4-oxoquinoxalin-4-ium-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-oxido-4-oxoquinoxalin-4-ium-2-yl)-phenylmethanone
PubChem CID13098158
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name(1-oxido-4-oxoquinoxalin-4-ium-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c[n+](=O)c2ccccc2n1[O-]
InChIInChI=1S/C15H10N2O3/c18-15(11-6-2-1-3-7-11)14-10-16(19)12-8-4-5-9-13(12)17(14)20/h1-10H
InChIKeyCUJWKVLZTDWUGI-UHFFFAOYSA-N
XLogP2.13
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-oxido-4-oxoquinoxalin-4-ium-2-yl)-3-piperidin-1-ylpropan-1-one
CID 85470500
lithium 2-benzoylindole-1-carboxylate
CID 134905163
diphenylmethanone
CID 3102
(1-hydroxy-4-oxo-3-phenylquinoxalin-4-ium-2-yl)-phenylmethanone
CID 126419138
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
(6,7-difluoro-1-oxido-4-oxo-3-phenylquinoxalin-4-ium-2-yl)-phenylmethanone
CID 42624958
3-(4-ethyl-1,3-oxazolidin-2-yl)-4-oxidoquinoxalin-1-ium 1-oxide
CID 13050625
2,3-dichloro-10-oxidophenazin-5-ium 5-oxide
CID 624471
diphenylmethanone;ethane
CID 158014879

Frequently Asked Questions

What is the IUPAC name of (1-oxido-4-oxoquinoxalin-4-ium-2-yl)-phenylmethanone?
The IUPAC name of (1-oxido-4-oxoquinoxalin-4-ium-2-yl)-phenylmethanone (CID 13098158) is (1-oxido-4-oxoquinoxalin-4-ium-2-yl)-phenylmethanone.
What is the SMILES notation for (1-oxido-4-oxoquinoxalin-4-ium-2-yl)-phenylmethanone?
The canonical SMILES for (1-oxido-4-oxoquinoxalin-4-ium-2-yl)-phenylmethanone is O=C(c1ccccc1)c1c[n+](=O)c2ccccc2n1[O-].
What is the InChIKey of (1-oxido-4-oxoquinoxalin-4-ium-2-yl)-phenylmethanone?
The InChIKey is CUJWKVLZTDWUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-15(11-6-2-1-3-7-11)14-10-16(19)12-8-4-5-9-13(12)17(14)20/h1-10H.
What are the key properties of (1-oxido-4-oxoquinoxalin-4-ium-2-yl)-phenylmethanone?
(1-oxido-4-oxoquinoxalin-4-ium-2-yl)-phenylmethanone has a molecular weight of 266.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxido-4-oxoquinoxalin-4-ium-2-yl)-phenylmethanone is sourced from PubChem (CID 13098158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).