8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine

C20H19NO3 — CID 10758120

IUPAC8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine
SMILESCOc1cc2cnc3c4c(ccc3c2cc1OC)OC(C)(C)C=C4
InChIInChI=1S/C20H19NO3/c1-20(2)8-7-14-16(24-20)6-5-13-15-10-18(23-4)17(22-3)9-12(15)11-21-19(13)14/h5-11H,1-4H3
InChIKeyVDMRZGLNYKGSHE-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.59
Rot. Bonds2

About 8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine

8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine (PubChem CID 10758120) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine.

Molecular Properties

Compound Name8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine
PubChem CID10758120
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine
SMILESCOc1cc2cnc3c4c(ccc3c2cc1OC)OC(C)(C)C=C4
InChIInChI=1S/C20H19NO3/c1-20(2)8-7-14-16(24-20)6-5-13-15-10-18(23-4)17(22-3)9-12(15)11-21-19(13)14/h5-11H,1-4H3
InChIKeyVDMRZGLNYKGSHE-UHFFFAOYSA-N
XLogP4.59
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine 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 8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine?
The IUPAC name of 8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine (CID 10758120) is 8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine.
What is the SMILES notation for 8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine?
The canonical SMILES for 8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine is COc1cc2cnc3c4c(ccc3c2cc1OC)OC(C)(C)C=C4.
What is the InChIKey of 8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine?
The InChIKey is VDMRZGLNYKGSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-20(2)8-7-14-16(24-20)6-5-13-15-10-18(23-4)17(22-3)9-12(15)11-21-19(13)14/h5-11H,1-4H3.
What are the key properties of 8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine?
8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine has a molecular weight of 321.38 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine is sourced from PubChem (CID 10758120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).