2-(2-methoxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione

C17H12N3O3+ — CID 56620073

IUPAC2-(2-methoxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione
SMILESCOc1ccccc1N1C(=O)c2cnc3ccccc3[n+]2C1=O
InChIInChI=1S/C17H12N3O3/c1-23-15-9-5-4-8-13(15)20-16(21)14-10-18-11-6-2-3-7-12(11)19(14)17(20)22/h2-10H,1H3/q+1
InChIKeyGFUQEFQCWKINRN-UHFFFAOYSA-N
MW306.30 g/mol
LogP2.16
Rot. Bonds2

About 2-(2-methoxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione

2-(2-methoxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione (PubChem CID 56620073) has the molecular formula C17H12N3O3+ and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione.

Molecular Properties

Compound Name2-(2-methoxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione
PubChem CID56620073
Molecular FormulaC17H12N3O3+
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC Name2-(2-methoxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione
SMILESCOc1ccccc1N1C(=O)c2cnc3ccccc3[n+]2C1=O
InChIInChI=1S/C17H12N3O3/c1-23-15-9-5-4-8-13(15)20-16(21)14-10-18-11-6-2-3-7-12(11)19(14)17(20)22/h2-10H,1H3/q+1
InChIKeyGFUQEFQCWKINRN-UHFFFAOYSA-N
XLogP2.16
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-phenylimidazo[1,5-a]quinoxalin-10-ium-1,3-dione
CID 56612331
6-(2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 699158
10-(2-methoxyphenyl)-3,7-dimethyl-5H-pyrido[2,3-b][1,8]naphthyridine
CID 59572478
3-(2-methoxyphenyl)quinazolin-4-one
CID 823516
2-(2-methoxyphenyl)-6,12-dimethyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59573004
2-(2-methoxyphenyl)-6-methyl-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59572903
2-(2-methoxyphenyl)-6-methyl-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59572656
2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 59573750
(5Z)-3-(2-methoxyphenyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18837247
5-amino-1-(2-methoxyphenyl)pyrimidin-2-one
CID 82043847
2-(2-methoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2847719
1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole
CID 70266988

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione?
The IUPAC name of 2-(2-methoxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione (CID 56620073) is 2-(2-methoxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione.
What is the SMILES notation for 2-(2-methoxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione?
The canonical SMILES for 2-(2-methoxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione is COc1ccccc1N1C(=O)c2cnc3ccccc3[n+]2C1=O.
What is the InChIKey of 2-(2-methoxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione?
The InChIKey is GFUQEFQCWKINRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N3O3/c1-23-15-9-5-4-8-13(15)20-16(21)14-10-18-11-6-2-3-7-12(11)19(14)17(20)22/h2-10H,1H3/q+1.
What are the key properties of 2-(2-methoxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione?
2-(2-methoxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione has a molecular weight of 306.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione is sourced from PubChem (CID 56620073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).