7-hydroxy-9-methoxy-3-methylphenazine-2-sulfonic acid;6-methoxy-3,8-dimethylphenazine-2-sulfonic acid

C29H26N4O9S2 — CID 162245752

IUPAC7-hydroxy-9-methoxy-3-methylphenazine-2-sulfonic acid;6-methoxy-3,8-dimethylphenazine-2-sulfonic acid
SMILESCOc1cc(C)cc2nc3cc(S(=O)(=O)O)c(C)cc3nc12.COc1cc(O)cc2nc3cc(C)c(S(=O)(=O)O)cc3nc12
InChIInChI=1S/C15H14N2O4S.C14H12N2O5S/c1-8-4-12-15(13(5-8)21-3)17-10-6-9(2)14(22(18,19)20)7-11(10)16-12;1-7-3-9-10(6-13(7)22(18,19)20)16-14-11(15-9)4-8(17)5-12(14)21-2/h4-7H,1-3H3,(H,18,19,20);3-6,17H,1-2H3,(H,18,19,20)
InChIKeyZXHQNIGRYMCMMV-UHFFFAOYSA-N
MW638.68 g/mol
LogP4.71
Rot. Bonds4

About 7-hydroxy-9-methoxy-3-methylphenazine-2-sulfonic acid;6-methoxy-3,8-dimethylphenazine-2-sulfonic acid

7-hydroxy-9-methoxy-3-methylphenazine-2-sulfonic acid;6-methoxy-3,8-dimethylphenazine-2-sulfonic acid (PubChem CID 162245752) has the molecular formula C29H26N4O9S2 and a molecular weight of 638.68 g/mol. Its IUPAC name is 7-hydroxy-9-methoxy-3-methylphenazine-2-sulfonic acid;6-methoxy-3,8-dimethylphenazine-2-sulfonic acid.

Molecular Properties

Compound Name7-hydroxy-9-methoxy-3-methylphenazine-2-sulfonic acid;6-methoxy-3,8-dimethylphenazine-2-sulfonic acid
PubChem CID162245752
Molecular FormulaC29H26N4O9S2
Molecular Weight638.68 g/mol
Exact Mass638.11
IUPAC Name7-hydroxy-9-methoxy-3-methylphenazine-2-sulfonic acid;6-methoxy-3,8-dimethylphenazine-2-sulfonic acid
SMILESCOc1cc(C)cc2nc3cc(S(=O)(=O)O)c(C)cc3nc12.COc1cc(O)cc2nc3cc(C)c(S(=O)(=O)O)cc3nc12
InChIInChI=1S/C15H14N2O4S.C14H12N2O5S/c1-8-4-12-15(13(5-8)21-3)17-10-6-9(2)14(22(18,19)20)7-11(10)16-12;1-7-3-9-10(6-13(7)22(18,19)20)16-14-11(15-9)4-8(17)5-12(14)21-2/h4-7H,1-3H3,(H,18,19,20);3-6,17H,1-2H3,(H,18,19,20)
InChIKeyZXHQNIGRYMCMMV-UHFFFAOYSA-N
XLogP4.71
TPSA198.99 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.68
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 7-hydroxy-9-methoxy-3-methylphenazine-2-sulfonic acid;6-methoxy-3,8-dimethylphenazine-2-sulfonic acid 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

7-hydroxy-9-methoxyphenazine-2-sulfonic acid
CID 146386121
ethane;8-hydroxy-6-methoxyphenazine-2-sulfonic acid
CID 156832576
4,9-dimethoxyphenazine-2,7-diol
CID 146380846
5-methoxy-2-methyl-4-(trioxidanylsulfanyl)benzenesulfonic acid
CID 58611266
8-(dihydroxymethyl)-6-methoxyphenazine-2,3-diol
CID 166717796
4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonic acid
CID 82478576
4,9-dimethoxyphenazine-2,7-dicarboxylic acid
CID 146380937
CID 156592243
CID 156592243
5-methoxy-2-methyl-4-[2-(4-sulfophenyl)hydrazinyl]benzenesulfonic acid
CID 87134780
4-methoxy-2-methyl-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid
CID 89359765
4-hydroxy-6-methoxybenzene-1,3-disulfonic acid
CID 14197010
3-hydroxy-4-[(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 136669477

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-9-methoxy-3-methylphenazine-2-sulfonic acid;6-methoxy-3,8-dimethylphenazine-2-sulfonic acid?
The IUPAC name of 7-hydroxy-9-methoxy-3-methylphenazine-2-sulfonic acid;6-methoxy-3,8-dimethylphenazine-2-sulfonic acid (CID 162245752) is 7-hydroxy-9-methoxy-3-methylphenazine-2-sulfonic acid;6-methoxy-3,8-dimethylphenazine-2-sulfonic acid.
What is the SMILES notation for 7-hydroxy-9-methoxy-3-methylphenazine-2-sulfonic acid;6-methoxy-3,8-dimethylphenazine-2-sulfonic acid?
The canonical SMILES for 7-hydroxy-9-methoxy-3-methylphenazine-2-sulfonic acid;6-methoxy-3,8-dimethylphenazine-2-sulfonic acid is COc1cc(C)cc2nc3cc(S(=O)(=O)O)c(C)cc3nc12.COc1cc(O)cc2nc3cc(C)c(S(=O)(=O)O)cc3nc12.
What is the InChIKey of 7-hydroxy-9-methoxy-3-methylphenazine-2-sulfonic acid;6-methoxy-3,8-dimethylphenazine-2-sulfonic acid?
The InChIKey is ZXHQNIGRYMCMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S.C14H12N2O5S/c1-8-4-12-15(13(5-8)21-3)17-10-6-9(2)14(22(18,19)20)7-11(10)16-12;1-7-3-9-10(6-13(7)22(18,19)20)16-14-11(15-9)4-8(17)5-12(14)21-2/h4-7H,1-3H3,(H,18,19,20);3-6,17H,1-2H3,(H,18,19,20).
What are the key properties of 7-hydroxy-9-methoxy-3-methylphenazine-2-sulfonic acid;6-methoxy-3,8-dimethylphenazine-2-sulfonic acid?
7-hydroxy-9-methoxy-3-methylphenazine-2-sulfonic acid;6-methoxy-3,8-dimethylphenazine-2-sulfonic acid has a molecular weight of 638.68 g/mol, XLogP of 4.71, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-9-methoxy-3-methylphenazine-2-sulfonic acid;6-methoxy-3,8-dimethylphenazine-2-sulfonic acid is sourced from PubChem (CID 162245752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).