5-(3,7-dimethylocta-2,6-dienyl)-3-methyl-2-oxofuro[2,3-b]phenazine-11-carboxylic acid

C26H26N2O4 — CID 162821003

IUPAC5-(3,7-dimethylocta-2,6-dienyl)-3-methyl-2-oxofuro[2,3-b]phenazine-11-carboxylic acid
SMILESCC(C)=CCCC(C)=CCn1c2ccccc2nc2c(C(=O)O)c3oc(=O)c(C)c3cc21
InChIInChI=1S/C26H26N2O4/c1-15(2)8-7-9-16(3)12-13-28-20-11-6-5-10-19(20)27-23-21(28)14-18-17(4)26(31)32-24(18)22(23)25(29)30/h5-6,8,10-12,14H,7,9,13H2,1-4H3,(H,29,30)
InChIKeyDRTHRWYJKFGBCU-UHFFFAOYSA-N
MW430.50 g/mol
LogP6.00
Rot. Bonds6

About 5-(3,7-dimethylocta-2,6-dienyl)-3-methyl-2-oxofuro[2,3-b]phenazine-11-carboxylic acid

5-(3,7-dimethylocta-2,6-dienyl)-3-methyl-2-oxofuro[2,3-b]phenazine-11-carboxylic acid (PubChem CID 162821003) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 5-(3,7-dimethylocta-2,6-dienyl)-3-methyl-2-oxofuro[2,3-b]phenazine-11-carboxylic acid.

Molecular Properties

Compound Name5-(3,7-dimethylocta-2,6-dienyl)-3-methyl-2-oxofuro[2,3-b]phenazine-11-carboxylic acid
PubChem CID162821003
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name5-(3,7-dimethylocta-2,6-dienyl)-3-methyl-2-oxofuro[2,3-b]phenazine-11-carboxylic acid
SMILESCC(C)=CCCC(C)=CCn1c2ccccc2nc2c(C(=O)O)c3oc(=O)c(C)c3cc21
InChIInChI=1S/C26H26N2O4/c1-15(2)8-7-9-16(3)12-13-28-20-11-6-5-10-19(20)27-23-21(28)14-18-17(4)26(31)32-24(18)22(23)25(29)30/h5-6,8,10-12,14H,7,9,13H2,1-4H3,(H,29,30)
InChIKeyDRTHRWYJKFGBCU-UHFFFAOYSA-N
XLogP6.00
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(3,7-dimethylocta-2,6-dienyl)-3-methyl-2-oxofuro[2,3-b]phenazine-11-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,7-dimethylocta-2,6-dienyl)-3-methyl-2-oxofuro[2,3-b]phenazine-11-carboxylic acid?
The IUPAC name of 5-(3,7-dimethylocta-2,6-dienyl)-3-methyl-2-oxofuro[2,3-b]phenazine-11-carboxylic acid (CID 162821003) is 5-(3,7-dimethylocta-2,6-dienyl)-3-methyl-2-oxofuro[2,3-b]phenazine-11-carboxylic acid.
What is the SMILES notation for 5-(3,7-dimethylocta-2,6-dienyl)-3-methyl-2-oxofuro[2,3-b]phenazine-11-carboxylic acid?
The canonical SMILES for 5-(3,7-dimethylocta-2,6-dienyl)-3-methyl-2-oxofuro[2,3-b]phenazine-11-carboxylic acid is CC(C)=CCCC(C)=CCn1c2ccccc2nc2c(C(=O)O)c3oc(=O)c(C)c3cc21.
What is the InChIKey of 5-(3,7-dimethylocta-2,6-dienyl)-3-methyl-2-oxofuro[2,3-b]phenazine-11-carboxylic acid?
The InChIKey is DRTHRWYJKFGBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-15(2)8-7-9-16(3)12-13-28-20-11-6-5-10-19(20)27-23-21(28)14-18-17(4)26(31)32-24(18)22(23)25(29)30/h5-6,8,10-12,14H,7,9,13H2,1-4H3,(H,29,30).
What are the key properties of 5-(3,7-dimethylocta-2,6-dienyl)-3-methyl-2-oxofuro[2,3-b]phenazine-11-carboxylic acid?
5-(3,7-dimethylocta-2,6-dienyl)-3-methyl-2-oxofuro[2,3-b]phenazine-11-carboxylic acid has a molecular weight of 430.50 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,7-dimethylocta-2,6-dienyl)-3-methyl-2-oxofuro[2,3-b]phenazine-11-carboxylic acid is sourced from PubChem (CID 162821003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).