4,9-dimethoxyphenazine-2,7-dicarboxylic acid

C16H12N2O6 — CID 146380937

IUPAC4,9-dimethoxyphenazine-2,7-dicarboxylic acid
SMILESCOc1cc(C(=O)O)cc2nc3c(OC)cc(C(=O)O)cc3nc12
InChIInChI=1S/C16H12N2O6/c1-23-11-5-7(15(19)20)3-9-13(11)17-10-4-8(16(21)22)6-12(24-2)14(10)18-9/h3-6H,1-2H3,(H,19,20)(H,21,22)
InChIKeyJFPDEYWFMXRCEY-UHFFFAOYSA-N
MW328.28 g/mol
LogP2.20
Rot. Bonds4

About 4,9-dimethoxyphenazine-2,7-dicarboxylic acid

4,9-dimethoxyphenazine-2,7-dicarboxylic acid (PubChem CID 146380937) has the molecular formula C16H12N2O6 and a molecular weight of 328.28 g/mol. Its IUPAC name is 4,9-dimethoxyphenazine-2,7-dicarboxylic acid.

Molecular Properties

Compound Name4,9-dimethoxyphenazine-2,7-dicarboxylic acid
PubChem CID146380937
Molecular FormulaC16H12N2O6
Molecular Weight328.28 g/mol
Exact Mass328.07
IUPAC Name4,9-dimethoxyphenazine-2,7-dicarboxylic acid
SMILESCOc1cc(C(=O)O)cc2nc3c(OC)cc(C(=O)O)cc3nc12
InChIInChI=1S/C16H12N2O6/c1-23-11-5-7(15(19)20)3-9-13(11)17-10-4-8(16(21)22)6-12(24-2)14(10)18-9/h3-6H,1-2H3,(H,19,20)(H,21,22)
InChIKeyJFPDEYWFMXRCEY-UHFFFAOYSA-N
XLogP2.20
TPSA118.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-carboxy-2,6-dimethoxyphenolate
CID 54694262
4,9-dimethoxyphenazine-2,7-diol
CID 146380846
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978
4-methoxy-2-(methoxymethyl)-1,3-benzoxazole-6-carboxylic acid
CID 22663449
7-methoxy-3-methyl-2H-indazole-5-carboxylic acid
CID 66920545
2,3-dimethoxyquinoline-7-carboxylic acid
CID 67754459
3,4-dibromo-5-methoxybenzoic acid
CID 171002426
5,6-dimethoxypyridine-3-carboxylic acid
CID 12563086
3,5-dimethoxy-4-(111C)methylidyneazaniumylbenzoic acid
CID 177120819
3,4-dimethoxybenzoic acid;methanol
CID 144580050
7-methoxy-1H-indole-5-carboxylic acid
CID 15247554
4-amino-3-methoxybenzoic acid;ethane
CID 91282219

Frequently Asked Questions

What is the IUPAC name of 4,9-dimethoxyphenazine-2,7-dicarboxylic acid?
The IUPAC name of 4,9-dimethoxyphenazine-2,7-dicarboxylic acid (CID 146380937) is 4,9-dimethoxyphenazine-2,7-dicarboxylic acid.
What is the SMILES notation for 4,9-dimethoxyphenazine-2,7-dicarboxylic acid?
The canonical SMILES for 4,9-dimethoxyphenazine-2,7-dicarboxylic acid is COc1cc(C(=O)O)cc2nc3c(OC)cc(C(=O)O)cc3nc12.
What is the InChIKey of 4,9-dimethoxyphenazine-2,7-dicarboxylic acid?
The InChIKey is JFPDEYWFMXRCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O6/c1-23-11-5-7(15(19)20)3-9-13(11)17-10-4-8(16(21)22)6-12(24-2)14(10)18-9/h3-6H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4,9-dimethoxyphenazine-2,7-dicarboxylic acid?
4,9-dimethoxyphenazine-2,7-dicarboxylic acid has a molecular weight of 328.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethoxyphenazine-2,7-dicarboxylic acid is sourced from PubChem (CID 146380937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).