5-quinolin-8-yl-8-(trifluoromethyl)phenanthridin-6-one

C23H13F3N2O — CID 139050022

IUPAC5-quinolin-8-yl-8-(trifluoromethyl)phenanthridin-6-one
SMILESO=c1c2cc(C(F)(F)F)ccc2c2ccccc2n1-c1cccc2cccnc12
InChIInChI=1S/C23H13F3N2O/c24-23(25,26)15-10-11-16-17-7-1-2-8-19(17)28(22(29)18(16)13-15)20-9-3-5-14-6-4-12-27-21(14)20/h1-13H
InChIKeyDBWZAVMBVNFBNA-UHFFFAOYSA-N
MW390.36 g/mol
LogP5.71
Rot. Bonds1

About 5-quinolin-8-yl-8-(trifluoromethyl)phenanthridin-6-one

5-quinolin-8-yl-8-(trifluoromethyl)phenanthridin-6-one (PubChem CID 139050022) has the molecular formula C23H13F3N2O and a molecular weight of 390.36 g/mol. Its IUPAC name is 5-quinolin-8-yl-8-(trifluoromethyl)phenanthridin-6-one.

Molecular Properties

Compound Name5-quinolin-8-yl-8-(trifluoromethyl)phenanthridin-6-one
PubChem CID139050022
Molecular FormulaC23H13F3N2O
Molecular Weight390.36 g/mol
Exact Mass390.10
IUPAC Name5-quinolin-8-yl-8-(trifluoromethyl)phenanthridin-6-one
SMILESO=c1c2cc(C(F)(F)F)ccc2c2ccccc2n1-c1cccc2cccnc12
InChIInChI=1S/C23H13F3N2O/c24-23(25,26)15-10-11-16-17-7-1-2-8-19(17)28(22(29)18(16)13-15)20-9-3-5-14-6-4-12-27-21(14)20/h1-13H
InChIKeyDBWZAVMBVNFBNA-UHFFFAOYSA-N
XLogP5.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.36
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-quinolin-8-yl-8-(trifluoromethyl)phenanthridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-quinolin-8-yl-8-(trifluoromethyl)phenanthridin-6-one?
The IUPAC name of 5-quinolin-8-yl-8-(trifluoromethyl)phenanthridin-6-one (CID 139050022) is 5-quinolin-8-yl-8-(trifluoromethyl)phenanthridin-6-one.
What is the SMILES notation for 5-quinolin-8-yl-8-(trifluoromethyl)phenanthridin-6-one?
The canonical SMILES for 5-quinolin-8-yl-8-(trifluoromethyl)phenanthridin-6-one is O=c1c2cc(C(F)(F)F)ccc2c2ccccc2n1-c1cccc2cccnc12.
What is the InChIKey of 5-quinolin-8-yl-8-(trifluoromethyl)phenanthridin-6-one?
The InChIKey is DBWZAVMBVNFBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F3N2O/c24-23(25,26)15-10-11-16-17-7-1-2-8-19(17)28(22(29)18(16)13-15)20-9-3-5-14-6-4-12-27-21(14)20/h1-13H.
What are the key properties of 5-quinolin-8-yl-8-(trifluoromethyl)phenanthridin-6-one?
5-quinolin-8-yl-8-(trifluoromethyl)phenanthridin-6-one has a molecular weight of 390.36 g/mol, XLogP of 5.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-quinolin-8-yl-8-(trifluoromethyl)phenanthridin-6-one is sourced from PubChem (CID 139050022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).