1,6-dimethoxy-5-oxidophenazin-5-ium

C14H12N2O3 — CID 15957526

IUPAC1,6-dimethoxy-5-oxidophenazin-5-ium
SMILESCOc1cccc2c1nc1cccc(OC)c1[n+]2[O-]
InChIInChI=1S/C14H12N2O3/c1-18-11-7-4-6-10-13(11)15-9-5-3-8-12(19-2)14(9)16(10)17/h3-8H,1-2H3
InChIKeyYJPUKVVGBLRGID-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.04
Rot. Bonds2

About 1,6-dimethoxy-5-oxidophenazin-5-ium

1,6-dimethoxy-5-oxidophenazin-5-ium (PubChem CID 15957526) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1,6-dimethoxy-5-oxidophenazin-5-ium.

Molecular Properties

Compound Name1,6-dimethoxy-5-oxidophenazin-5-ium
PubChem CID15957526
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name1,6-dimethoxy-5-oxidophenazin-5-ium
SMILESCOc1cccc2c1nc1cccc(OC)c1[n+]2[O-]
InChIInChI=1S/C14H12N2O3/c1-18-11-7-4-6-10-13(11)15-9-5-3-8-12(19-2)14(9)16(10)17/h3-8H,1-2H3
InChIKeyYJPUKVVGBLRGID-UHFFFAOYSA-N
XLogP2.04
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,6-dimethoxy-5-oxidophenazin-5-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Phenazinol
CID 135412648
1,6-Dihydroxyphenazine
CID 135514780
Myxin
CID 135452479
2-Methoxyphenazine
CID 235279
Iodinin
CID 135441735
1,6-Dimethoxyphenazine
CID 617641
6-Methoxyphenazin-1-ol
CID 135698454
Phenazine, 2-methoxy-, 10-oxide
CID 137753
2-Methoxy-phenazin-1-ylamine
CID 610995
7-Methoxy-1,2,3,4-tetrahydrophenazine
CID 2812779
1-Methoxyphenazine
CID 76137
1-Methoxy-7,8-dimethylphenazine
CID 372186

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethoxy-5-oxidophenazin-5-ium?
The IUPAC name of 1,6-dimethoxy-5-oxidophenazin-5-ium (CID 15957526) is 1,6-dimethoxy-5-oxidophenazin-5-ium.
What is the SMILES notation for 1,6-dimethoxy-5-oxidophenazin-5-ium?
The canonical SMILES for 1,6-dimethoxy-5-oxidophenazin-5-ium is COc1cccc2c1nc1cccc(OC)c1[n+]2[O-].
What is the InChIKey of 1,6-dimethoxy-5-oxidophenazin-5-ium?
The InChIKey is YJPUKVVGBLRGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-18-11-7-4-6-10-13(11)15-9-5-3-8-12(19-2)14(9)16(10)17/h3-8H,1-2H3.
What are the key properties of 1,6-dimethoxy-5-oxidophenazin-5-ium?
1,6-dimethoxy-5-oxidophenazin-5-ium has a molecular weight of 256.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethoxy-5-oxidophenazin-5-ium is sourced from PubChem (CID 15957526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).