8,9-dimethoxy-5H-phenanthridin-6-one

C15H13NO3 — CID 12703535

IUPAC8,9-dimethoxy-5H-phenanthridin-6-one
SMILESCOc1cc2c(=O)[nH]c3ccccc3c2cc1OC
InChIInChI=1S/C15H13NO3/c1-18-13-7-10-9-5-3-4-6-12(9)16-15(17)11(10)8-14(13)19-2/h3-8H,1-2H3,(H,16,17)
InChIKeyJSZDJKBYMGGQAL-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.70
Rot. Bonds2

About 8,9-dimethoxy-5H-phenanthridin-6-one

8,9-dimethoxy-5H-phenanthridin-6-one (PubChem CID 12703535) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 8,9-dimethoxy-5H-phenanthridin-6-one.

Molecular Properties

Compound Name8,9-dimethoxy-5H-phenanthridin-6-one
PubChem CID12703535
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name8,9-dimethoxy-5H-phenanthridin-6-one
SMILESCOc1cc2c(=O)[nH]c3ccccc3c2cc1OC
InChIInChI=1S/C15H13NO3/c1-18-13-7-10-9-5-3-4-6-12(9)16-15(17)11(10)8-14(13)19-2/h3-8H,1-2H3,(H,16,17)
InChIKeyJSZDJKBYMGGQAL-UHFFFAOYSA-N
XLogP2.70
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-5H-phenanthridin-6-one?
The IUPAC name of 8,9-dimethoxy-5H-phenanthridin-6-one (CID 12703535) is 8,9-dimethoxy-5H-phenanthridin-6-one.
What is the SMILES notation for 8,9-dimethoxy-5H-phenanthridin-6-one?
The canonical SMILES for 8,9-dimethoxy-5H-phenanthridin-6-one is COc1cc2c(=O)[nH]c3ccccc3c2cc1OC.
What is the InChIKey of 8,9-dimethoxy-5H-phenanthridin-6-one?
The InChIKey is JSZDJKBYMGGQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-18-13-7-10-9-5-3-4-6-12(9)16-15(17)11(10)8-14(13)19-2/h3-8H,1-2H3,(H,16,17).
What are the key properties of 8,9-dimethoxy-5H-phenanthridin-6-one?
8,9-dimethoxy-5H-phenanthridin-6-one has a molecular weight of 255.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-5H-phenanthridin-6-one is sourced from PubChem (CID 12703535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).