6-methoxy-4-oxido-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide

C12H12N2O3 — CID 659648

IUPAC6-methoxy-4-oxido-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide
SMILESCOc1ccc2c(c1)n([O-])c1c([n+]2=O)CCC1
InChIInChI=1S/C12H12N2O3/c1-17-8-5-6-11-12(7-8)14(16)10-4-2-3-9(10)13(11)15/h5-7H,2-4H2,1H3
InChIKeyPJMQERYIKCJUIW-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.40
Rot. Bonds1

About 6-methoxy-4-oxido-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide

6-methoxy-4-oxido-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide (PubChem CID 659648) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-methoxy-4-oxido-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide.

Molecular Properties

Compound Name6-methoxy-4-oxido-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide
PubChem CID659648
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name6-methoxy-4-oxido-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide
SMILESCOc1ccc2c(c1)n([O-])c1c([n+]2=O)CCC1
InChIInChI=1S/C12H12N2O3/c1-17-8-5-6-11-12(7-8)14(16)10-4-2-3-9(10)13(11)15/h5-7H,2-4H2,1H3
InChIKeyPJMQERYIKCJUIW-UHFFFAOYSA-N
XLogP1.40
TPSA60.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.40
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'}

Analyze 6-methoxy-4-oxido-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide with MolForge

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Related Compounds

8-fluoro-10-oxido-1,2,3,4-tetrahydrophenazin-5-ium 5-oxide
CID 3238284
2-ethoxy-6-methoxy-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
CID 101099213
3-(2,5-dimethoxyphenyl)-2-methyl-1-oxido-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide
CID 9102037
2-methyl-3-(5-methylfuran-2-yl)-1-oxido-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide
CID 2289132
7-methoxy-5-methyl-3,4-dihydro-2H-pyrimido[1,6-a]indol-1-one
CID 15112644
3-ethyl-6-methoxyindole-1-carboxamide
CID 173231943
3-ethyl-5-methoxy-1,2-dimethylbenzimidazol-1-ium
CID 153134341
3-(4-methoxyphenyl)-6,7-dimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-carbonitrile
CID 25111135
3-(4-methoxyphenyl)-1-oxido-4-oxoquinoxalin-4-ium-2-carboxylic acid
CID 54728573
(NE)-N-(3-methoxy-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-ylidene)hydroxylamine
CID 88658139
(1-ethyl-6-methoxyindol-3-yl)methanamine
CID 117122317
8-methoxy-3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
CID 154694313

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-oxido-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide?
The IUPAC name of 6-methoxy-4-oxido-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide (CID 659648) is 6-methoxy-4-oxido-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide.
What is the SMILES notation for 6-methoxy-4-oxido-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide?
The canonical SMILES for 6-methoxy-4-oxido-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide is COc1ccc2c(c1)n([O-])c1c([n+]2=O)CCC1.
What is the InChIKey of 6-methoxy-4-oxido-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide?
The InChIKey is PJMQERYIKCJUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-17-8-5-6-11-12(7-8)14(16)10-4-2-3-9(10)13(11)15/h5-7H,2-4H2,1H3.
What are the key properties of 6-methoxy-4-oxido-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide?
6-methoxy-4-oxido-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide has a molecular weight of 232.24 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-oxido-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide is sourced from PubChem (CID 659648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).