3-methoxy-5H-phenanthridin-6-one

C14H11NO2 — CID 12706603

IUPAC3-methoxy-5H-phenanthridin-6-one
SMILESCOc1ccc2c(c1)[nH]c(=O)c1ccccc12
InChIInChI=1S/C14H11NO2/c1-17-9-6-7-11-10-4-2-3-5-12(10)14(16)15-13(11)8-9/h2-8H,1H3,(H,15,16)
InChIKeyXAUMWKYTNSHMRF-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.69
Rot. Bonds1

About 3-methoxy-5H-phenanthridin-6-one

3-methoxy-5H-phenanthridin-6-one (PubChem CID 12706603) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-methoxy-5H-phenanthridin-6-one.

Molecular Properties

Compound Name3-methoxy-5H-phenanthridin-6-one
PubChem CID12706603
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name3-methoxy-5H-phenanthridin-6-one
SMILESCOc1ccc2c(c1)[nH]c(=O)c1ccccc12
InChIInChI=1S/C14H11NO2/c1-17-9-6-7-11-10-4-2-3-5-12(10)14(16)15-13(11)8-9/h2-8H,1H3,(H,15,16)
InChIKeyXAUMWKYTNSHMRF-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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Related Compounds

7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
3-methyl-5H-phenanthridin-6-one
CID 59877971
4-hydroxy-3,7-dimethoxy-1H-quinolin-2-one
CID 139718554
7-methoxy-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
CID 22462438
(7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) hydrogen carbonate
CID 134816586
4-hydroxy-7-methoxy-3-(2-methoxyphenyl)-1H-quinolin-2-one
CID 54691271
7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile
CID 86683080
8,9-dimethoxy-5H-phenanthridin-6-one
CID 12703535
9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one
CID 58424967
7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one
CID 135764700
17-methoxy-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione
CID 11067046
6-oxo-5H-phenanthridine-3-carboxamide
CID 140650320

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5H-phenanthridin-6-one?
The IUPAC name of 3-methoxy-5H-phenanthridin-6-one (CID 12706603) is 3-methoxy-5H-phenanthridin-6-one.
What is the SMILES notation for 3-methoxy-5H-phenanthridin-6-one?
The canonical SMILES for 3-methoxy-5H-phenanthridin-6-one is COc1ccc2c(c1)[nH]c(=O)c1ccccc12.
What is the InChIKey of 3-methoxy-5H-phenanthridin-6-one?
The InChIKey is XAUMWKYTNSHMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-17-9-6-7-11-10-4-2-3-5-12(10)14(16)15-13(11)8-9/h2-8H,1H3,(H,15,16).
What are the key properties of 3-methoxy-5H-phenanthridin-6-one?
3-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 3-methoxy-5H-phenanthridin-6-one is sourced from PubChem (CID 12706603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).