5-methyl-2-(trifluoromethoxy)phenanthridin-6-one

C15H10F3NO2 — CID 138967804

IUPAC5-methyl-2-(trifluoromethoxy)phenanthridin-6-one
SMILESCn1c(=O)c2ccccc2c2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C15H10F3NO2/c1-19-13-7-6-9(21-15(16,17)18)8-12(13)10-4-2-3-5-11(10)14(19)20/h2-8H,1H3
InChIKeyNABVGPLHYCZMRA-UHFFFAOYSA-N
MW293.24 g/mol
LogP3.59
Rot. Bonds1

About 5-methyl-2-(trifluoromethoxy)phenanthridin-6-one

5-methyl-2-(trifluoromethoxy)phenanthridin-6-one (PubChem CID 138967804) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 5-methyl-2-(trifluoromethoxy)phenanthridin-6-one.

Molecular Properties

Compound Name5-methyl-2-(trifluoromethoxy)phenanthridin-6-one
PubChem CID138967804
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC Name5-methyl-2-(trifluoromethoxy)phenanthridin-6-one
SMILESCn1c(=O)c2ccccc2c2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C15H10F3NO2/c1-19-13-7-6-9(21-15(16,17)18)8-12(13)10-4-2-3-5-11(10)14(19)20/h2-8H,1H3
InChIKeyNABVGPLHYCZMRA-UHFFFAOYSA-N
XLogP3.59
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(trifluoromethoxy)triphenylene
CID 154001040
9-ethyl-3-(trifluoromethoxy)carbazole
CID 150548469
4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one
CID 54696598
[1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine
CID 125479327
1-methyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid
CID 82250058
1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 138583118
1-[2-hydroxy-1-methyl-5-(trifluoromethoxy)indol-3-yl]imino-3-phenylurea
CID 139245061
2,5-dimethoxyphenanthridin-6-one
CID 134964837
4-methyl-1-[[4-(trifluoromethoxy)anilino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 31418027
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
5-methylbenzo[c][1,6]naphthyridin-6-one
CID 10727152
1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine
CID 69449777

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(trifluoromethoxy)phenanthridin-6-one?
The IUPAC name of 5-methyl-2-(trifluoromethoxy)phenanthridin-6-one (CID 138967804) is 5-methyl-2-(trifluoromethoxy)phenanthridin-6-one.
What is the SMILES notation for 5-methyl-2-(trifluoromethoxy)phenanthridin-6-one?
The canonical SMILES for 5-methyl-2-(trifluoromethoxy)phenanthridin-6-one is Cn1c(=O)c2ccccc2c2cc(OC(F)(F)F)ccc21.
What is the InChIKey of 5-methyl-2-(trifluoromethoxy)phenanthridin-6-one?
The InChIKey is NABVGPLHYCZMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2/c1-19-13-7-6-9(21-15(16,17)18)8-12(13)10-4-2-3-5-11(10)14(19)20/h2-8H,1H3.
What are the key properties of 5-methyl-2-(trifluoromethoxy)phenanthridin-6-one?
5-methyl-2-(trifluoromethoxy)phenanthridin-6-one has a molecular weight of 293.24 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(trifluoromethoxy)phenanthridin-6-one is sourced from PubChem (CID 138967804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).