6,8,11-trihydroxy-4-methoxy-9,10-dihydro-7H-benzo[b]phenazine-8-carboxylic acid

C18H16N2O6 — CID 135604574

IUPAC6,8,11-trihydroxy-4-methoxy-9,10-dihydro-7H-benzo[b]phenazine-8-carboxylic acid
SMILESCOc1cccc2nc3c(O)c4c(c(O)c3nc12)CC(O)(C(=O)O)CC4
InChIInChI=1S/C18H16N2O6/c1-26-11-4-2-3-10-12(11)20-14-13(19-10)15(21)8-5-6-18(25,17(23)24)7-9(8)16(14)22/h2-4,21-22,25H,5-7H2,1H3,(H,23,24)
InChIKeyIULZXZBZPVRCAE-UHFFFAOYSA-N
MW356.33 g/mol
LogP1.51
Rot. Bonds2

About 6,8,11-trihydroxy-4-methoxy-9,10-dihydro-7H-benzo[b]phenazine-8-carboxylic acid

6,8,11-trihydroxy-4-methoxy-9,10-dihydro-7H-benzo[b]phenazine-8-carboxylic acid (PubChem CID 135604574) has the molecular formula C18H16N2O6 and a molecular weight of 356.33 g/mol. Its IUPAC name is 6,8,11-trihydroxy-4-methoxy-9,10-dihydro-7H-benzo[b]phenazine-8-carboxylic acid.

Molecular Properties

Compound Name6,8,11-trihydroxy-4-methoxy-9,10-dihydro-7H-benzo[b]phenazine-8-carboxylic acid
PubChem CID135604574
Molecular FormulaC18H16N2O6
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Name6,8,11-trihydroxy-4-methoxy-9,10-dihydro-7H-benzo[b]phenazine-8-carboxylic acid
SMILESCOc1cccc2nc3c(O)c4c(c(O)c3nc12)CC(O)(C(=O)O)CC4
InChIInChI=1S/C18H16N2O6/c1-26-11-4-2-3-10-12(11)20-14-13(19-10)15(21)8-5-6-18(25,17(23)24)7-9(8)16(14)22/h2-4,21-22,25H,5-7H2,1H3,(H,23,24)
InChIKeyIULZXZBZPVRCAE-UHFFFAOYSA-N
XLogP1.51
TPSA133.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6,8,11-trihydroxy-4-methoxy-9,10-dihydro-7H-benzo[b]phenazine-8-carboxylic acid with MolForge

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Related Compounds

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CID 123421599
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CID 10052723
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Frequently Asked Questions

What is the IUPAC name of 6,8,11-trihydroxy-4-methoxy-9,10-dihydro-7H-benzo[b]phenazine-8-carboxylic acid?
The IUPAC name of 6,8,11-trihydroxy-4-methoxy-9,10-dihydro-7H-benzo[b]phenazine-8-carboxylic acid (CID 135604574) is 6,8,11-trihydroxy-4-methoxy-9,10-dihydro-7H-benzo[b]phenazine-8-carboxylic acid.
What is the SMILES notation for 6,8,11-trihydroxy-4-methoxy-9,10-dihydro-7H-benzo[b]phenazine-8-carboxylic acid?
The canonical SMILES for 6,8,11-trihydroxy-4-methoxy-9,10-dihydro-7H-benzo[b]phenazine-8-carboxylic acid is COc1cccc2nc3c(O)c4c(c(O)c3nc12)CC(O)(C(=O)O)CC4.
What is the InChIKey of 6,8,11-trihydroxy-4-methoxy-9,10-dihydro-7H-benzo[b]phenazine-8-carboxylic acid?
The InChIKey is IULZXZBZPVRCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6/c1-26-11-4-2-3-10-12(11)20-14-13(19-10)15(21)8-5-6-18(25,17(23)24)7-9(8)16(14)22/h2-4,21-22,25H,5-7H2,1H3,(H,23,24).
What are the key properties of 6,8,11-trihydroxy-4-methoxy-9,10-dihydro-7H-benzo[b]phenazine-8-carboxylic acid?
6,8,11-trihydroxy-4-methoxy-9,10-dihydro-7H-benzo[b]phenazine-8-carboxylic acid has a molecular weight of 356.33 g/mol, XLogP of 1.51, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,11-trihydroxy-4-methoxy-9,10-dihydro-7H-benzo[b]phenazine-8-carboxylic acid is sourced from PubChem (CID 135604574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).