2-methoxy-5H-phenanthridin-6-one

C14H11NO2 — CID 614496

IUPAC2-methoxy-5H-phenanthridin-6-one
SMILESCOc1ccc2[nH]c(=O)c3ccccc3c2c1
InChIInChI=1S/C14H11NO2/c1-17-9-6-7-13-12(8-9)10-4-2-3-5-11(10)14(16)15-13/h2-8H,1H3,(H,15,16)
InChIKeySFDHWBOPWONGJZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.69
Rot. Bonds1

About 2-methoxy-5H-phenanthridin-6-one

2-methoxy-5H-phenanthridin-6-one (PubChem CID 614496) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methoxy-5H-phenanthridin-6-one.

Molecular Properties

Compound Name2-methoxy-5H-phenanthridin-6-one
PubChem CID614496
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name2-methoxy-5H-phenanthridin-6-one
SMILESCOc1ccc2[nH]c(=O)c3ccccc3c2c1
InChIInChI=1S/C14H11NO2/c1-17-9-6-7-13-12(8-9)10-4-2-3-5-11(10)14(16)15-13/h2-8H,1H3,(H,15,16)
InChIKeySFDHWBOPWONGJZ-UHFFFAOYSA-N
XLogP2.69
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-methoxy-5H-phenanthridin-6-one?
The IUPAC name of 2-methoxy-5H-phenanthridin-6-one (CID 614496) is 2-methoxy-5H-phenanthridin-6-one.
What is the SMILES notation for 2-methoxy-5H-phenanthridin-6-one?
The canonical SMILES for 2-methoxy-5H-phenanthridin-6-one is COc1ccc2[nH]c(=O)c3ccccc3c2c1.
What is the InChIKey of 2-methoxy-5H-phenanthridin-6-one?
The InChIKey is SFDHWBOPWONGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-17-9-6-7-13-12(8-9)10-4-2-3-5-11(10)14(16)15-13/h2-8H,1H3,(H,15,16).
What are the key properties of 2-methoxy-5H-phenanthridin-6-one?
2-methoxy-5H-phenanthridin-6-one has a molecular weight of 225.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5H-phenanthridin-6-one is sourced from PubChem (CID 614496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).