8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one

C15H11F3N2O2 — CID 154541533

IUPAC8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one
SMILESCn1c(=O)c2c(O)c(N)ccc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H11F3N2O2/c1-20-11-5-2-7(15(16,17)18)6-9(11)8-3-4-10(19)13(21)12(8)14(20)22/h2-6,21H,19H2,1H3
InChIKeyWAGOOAIPPYPUEJ-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.00
Rot. Bonds

About 8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one

8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one (PubChem CID 154541533) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one.

Molecular Properties

Compound Name8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one
PubChem CID154541533
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one
SMILESCn1c(=O)c2c(O)c(N)ccc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H11F3N2O2/c1-20-11-5-2-7(15(16,17)18)6-9(11)8-3-4-10(19)13(21)12(8)14(20)22/h2-6,21H,19H2,1H3
InChIKeyWAGOOAIPPYPUEJ-UHFFFAOYSA-N
XLogP3.00
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Butyl-7-methoxy-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenanthridin-6-one
CID 54586082
3-amino-2-hydroxy-N,N-dimethyl-6-[3-(trifluoromethyl)phenyl]benzamide
CID 58736541
3-Amino-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide
CID 58736589
3-amino-2-hydroxy-N,N-dimethyl-6-[4-(trifluoromethyl)phenyl]benzamide
CID 58736652
3-amino-2-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide
CID 59675633
[3-Amino-2-hydroxy-6-(trifluoromethyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 59675637
3-amino-2-hydroxy-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide
CID 89246215
5-Butyl-2-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)-7-methoxyphenanthridin-6-one
CID 141619470
1-hydroxy-N,N-dimethyl-5-[(2,2,2-trifluoroacetyl)amino]naphthalene-2-carboxamide
CID 145785232
[3-(Dimethylcarbamoyl)-2-hydroxy-4-(trifluoromethyl)phenyl]azanium
CID 163771620
5-(2-Butylhexyl)-10-fluoro-7-hydroxyphenanthridin-6-one
CID 166025802
9-Amino-5-butyl-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenanthridin-6-one
CID 169853548

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one?
The IUPAC name of 8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one (CID 154541533) is 8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one.
What is the SMILES notation for 8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one?
The canonical SMILES for 8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one is Cn1c(=O)c2c(O)c(N)ccc2c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one?
The InChIKey is WAGOOAIPPYPUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c1-20-11-5-2-7(15(16,17)18)6-9(11)8-3-4-10(19)13(21)12(8)14(20)22/h2-6,21H,19H2,1H3.
What are the key properties of 8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one?
8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one has a molecular weight of 308.26 g/mol, XLogP of 3.00, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one is sourced from PubChem (CID 154541533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).