7-methoxy-5,10-dioxidophenazine-5,10-diium-2-amine

C13H11N3O3 — CID 135409939

IUPAC7-methoxy-5,10-dioxidophenazine-5,10-diium-2-amine
SMILESCOc1ccc2c(c1)[n+]([O-])c1ccc(N)cc1[n+]2[O-]
InChIInChI=1S/C13H11N3O3/c1-19-9-3-5-11-13(7-9)16(18)10-4-2-8(14)6-12(10)15(11)17/h2-7H,14H2,1H3
InChIKeyJJCXBDJDSIMBRD-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.85
Rot. Bonds1

About 7-methoxy-5,10-dioxidophenazine-5,10-diium-2-amine

7-methoxy-5,10-dioxidophenazine-5,10-diium-2-amine (PubChem CID 135409939) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 7-methoxy-5,10-dioxidophenazine-5,10-diium-2-amine.

Molecular Properties

Compound Name7-methoxy-5,10-dioxidophenazine-5,10-diium-2-amine
PubChem CID135409939
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name7-methoxy-5,10-dioxidophenazine-5,10-diium-2-amine
SMILESCOc1ccc2c(c1)[n+]([O-])c1ccc(N)cc1[n+]2[O-]
InChIInChI=1S/C13H11N3O3/c1-19-9-3-5-11-13(7-9)16(18)10-4-2-8(14)6-12(10)15(11)17/h2-7H,14H2,1H3
InChIKeyJJCXBDJDSIMBRD-UHFFFAOYSA-N
XLogP0.85
TPSA89.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxyphenazine 5,10-Dioxide
CID 135403208
2-Methoxyphenazine
CID 235279
2-Amino-3-hydroxyphenazine
CID 135408605
Phenazine, 1,6-dimethoxy-, 5-oxide
CID 15957526
1,6-Dimethoxyphenazine
CID 617641
Phenazine, 2-methoxy-, 10-oxide
CID 137753
2-Methoxyphenazin-1-amine
CID 610995
7-Methoxy-1,2,3,4-tetrahydrophenazine
CID 2812779
1-(2,3-Dimethylquinoxalin-6-yl)-3-(3-methoxyphenyl)urea
CID 1072886
Quinoxaline, 7-methoxy-5-nitro-
CID 152746
1,8-Dimethoxyphenazine
CID 4136929
6-Methoxy-2,3-dimethylquinoxaline
CID 81137

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5,10-dioxidophenazine-5,10-diium-2-amine?
The IUPAC name of 7-methoxy-5,10-dioxidophenazine-5,10-diium-2-amine (CID 135409939) is 7-methoxy-5,10-dioxidophenazine-5,10-diium-2-amine.
What is the SMILES notation for 7-methoxy-5,10-dioxidophenazine-5,10-diium-2-amine?
The canonical SMILES for 7-methoxy-5,10-dioxidophenazine-5,10-diium-2-amine is COc1ccc2c(c1)[n+]([O-])c1ccc(N)cc1[n+]2[O-].
What is the InChIKey of 7-methoxy-5,10-dioxidophenazine-5,10-diium-2-amine?
The InChIKey is JJCXBDJDSIMBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-19-9-3-5-11-13(7-9)16(18)10-4-2-8(14)6-12(10)15(11)17/h2-7H,14H2,1H3.
What are the key properties of 7-methoxy-5,10-dioxidophenazine-5,10-diium-2-amine?
7-methoxy-5,10-dioxidophenazine-5,10-diium-2-amine has a molecular weight of 257.25 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5,10-dioxidophenazine-5,10-diium-2-amine is sourced from PubChem (CID 135409939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).