4-deuterio-8-methoxy-6-methylphenanthridine

C15H13NO — CID 175718583

IUPAC4-deuterio-8-methoxy-6-methylphenanthridine
SMILES[2H]c1cccc2c1nc(C)c1cc(OC)ccc12
InChIInChI=1S/C15H13NO/c1-10-14-9-11(17-2)7-8-12(14)13-5-3-4-6-15(13)16-10/h3-9H,1-2H3/i6D
InChIKeyBPVZNZRAIRIVKU-RAMDWTOOSA-N
MW224.28 g/mol
LogP3.71
Rot. Bonds1

About 4-deuterio-8-methoxy-6-methylphenanthridine

4-deuterio-8-methoxy-6-methylphenanthridine (PubChem CID 175718583) has the molecular formula C15H13NO and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-deuterio-8-methoxy-6-methylphenanthridine.

Molecular Properties

Compound Name4-deuterio-8-methoxy-6-methylphenanthridine
PubChem CID175718583
Molecular FormulaC15H13NO
Molecular Weight224.28 g/mol
Exact Mass224.11
IUPAC Name4-deuterio-8-methoxy-6-methylphenanthridine
SMILES[2H]c1cccc2c1nc(C)c1cc(OC)ccc12
InChIInChI=1S/C15H13NO/c1-10-14-9-11(17-2)7-8-12(14)13-5-3-4-6-15(13)16-10/h3-9H,1-2H3/i6D
InChIKeyBPVZNZRAIRIVKU-RAMDWTOOSA-N
XLogP3.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-deuterio-8-methoxy-6-methylphenanthridine 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 4-deuterio-8-methoxy-6-methylphenanthridine?
The IUPAC name of 4-deuterio-8-methoxy-6-methylphenanthridine (CID 175718583) is 4-deuterio-8-methoxy-6-methylphenanthridine.
What is the SMILES notation for 4-deuterio-8-methoxy-6-methylphenanthridine?
The canonical SMILES for 4-deuterio-8-methoxy-6-methylphenanthridine is [2H]c1cccc2c1nc(C)c1cc(OC)ccc12.
What is the InChIKey of 4-deuterio-8-methoxy-6-methylphenanthridine?
The InChIKey is BPVZNZRAIRIVKU-RAMDWTOOSA-N. The full InChI is InChI=1S/C15H13NO/c1-10-14-9-11(17-2)7-8-12(14)13-5-3-4-6-15(13)16-10/h3-9H,1-2H3/i6D.
What are the key properties of 4-deuterio-8-methoxy-6-methylphenanthridine?
4-deuterio-8-methoxy-6-methylphenanthridine has a molecular weight of 224.28 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-8-methoxy-6-methylphenanthridine is sourced from PubChem (CID 175718583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).