10-methoxy-2H-phenanthridin-1-one

C14H11NO2 — CID 156772397

IUPAC10-methoxy-2H-phenanthridin-1-one
SMILESCOc1cccc2cnc3c(c12)C(=O)CC=C3
InChIInChI=1S/C14H11NO2/c1-17-12-7-2-4-9-8-15-10-5-3-6-11(16)14(10)13(9)12/h2-5,7-8H,6H2,1H3
InChIKeyJSSJKNXYJHGWFX-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.84
Rot. Bonds1

About 10-methoxy-2H-phenanthridin-1-one

10-methoxy-2H-phenanthridin-1-one (PubChem CID 156772397) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 10-methoxy-2H-phenanthridin-1-one.

Molecular Properties

Compound Name10-methoxy-2H-phenanthridin-1-one
PubChem CID156772397
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name10-methoxy-2H-phenanthridin-1-one
SMILESCOc1cccc2cnc3c(c12)C(=O)CC=C3
InChIInChI=1S/C14H11NO2/c1-17-12-7-2-4-9-8-15-10-5-3-6-11(16)14(10)13(9)12/h2-5,7-8H,6H2,1H3
InChIKeyJSSJKNXYJHGWFX-UHFFFAOYSA-N
XLogP2.84
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-2H-phenanthridin-1-one?
The IUPAC name of 10-methoxy-2H-phenanthridin-1-one (CID 156772397) is 10-methoxy-2H-phenanthridin-1-one.
What is the SMILES notation for 10-methoxy-2H-phenanthridin-1-one?
The canonical SMILES for 10-methoxy-2H-phenanthridin-1-one is COc1cccc2cnc3c(c12)C(=O)CC=C3.
What is the InChIKey of 10-methoxy-2H-phenanthridin-1-one?
The InChIKey is JSSJKNXYJHGWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-17-12-7-2-4-9-8-15-10-5-3-6-11(16)14(10)13(9)12/h2-5,7-8H,6H2,1H3.
What are the key properties of 10-methoxy-2H-phenanthridin-1-one?
10-methoxy-2H-phenanthridin-1-one has a molecular weight of 225.25 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-2H-phenanthridin-1-one is sourced from PubChem (CID 156772397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).