2-methyl-7-[4-(trifluoromethyl)phenoxy]quinoline-5,8-dione

C17H10F3NO3 — CID 163360811

IUPAC2-methyl-7-[4-(trifluoromethyl)phenoxy]quinoline-5,8-dione
SMILESCc1ccc2c(n1)C(=O)C(Oc1ccc(C(F)(F)F)cc1)=CC2=O
InChIInChI=1S/C17H10F3NO3/c1-9-2-7-12-13(22)8-14(16(23)15(12)21-9)24-11-5-3-10(4-6-11)17(18,19)20/h2-8H,1H3
InChIKeyCGRBNLHNGJMXAC-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.75
Rot. Bonds2

About 2-methyl-7-[4-(trifluoromethyl)phenoxy]quinoline-5,8-dione

2-methyl-7-[4-(trifluoromethyl)phenoxy]quinoline-5,8-dione (PubChem CID 163360811) has the molecular formula C17H10F3NO3 and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-methyl-7-[4-(trifluoromethyl)phenoxy]quinoline-5,8-dione.

Molecular Properties

Compound Name2-methyl-7-[4-(trifluoromethyl)phenoxy]quinoline-5,8-dione
PubChem CID163360811
Molecular FormulaC17H10F3NO3
Molecular Weight333.27 g/mol
Exact Mass333.06
IUPAC Name2-methyl-7-[4-(trifluoromethyl)phenoxy]quinoline-5,8-dione
SMILESCc1ccc2c(n1)C(=O)C(Oc1ccc(C(F)(F)F)cc1)=CC2=O
InChIInChI=1S/C17H10F3NO3/c1-9-2-7-12-13(22)8-14(16(23)15(12)21-9)24-11-5-3-10(4-6-11)17(18,19)20/h2-8H,1H3
InChIKeyCGRBNLHNGJMXAC-UHFFFAOYSA-N
XLogP3.75
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2-methyl-7-[4-(trifluoromethyl)phenoxy]quinoline-5,8-dione 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 2-methyl-7-[4-(trifluoromethyl)phenoxy]quinoline-5,8-dione?
The IUPAC name of 2-methyl-7-[4-(trifluoromethyl)phenoxy]quinoline-5,8-dione (CID 163360811) is 2-methyl-7-[4-(trifluoromethyl)phenoxy]quinoline-5,8-dione.
What is the SMILES notation for 2-methyl-7-[4-(trifluoromethyl)phenoxy]quinoline-5,8-dione?
The canonical SMILES for 2-methyl-7-[4-(trifluoromethyl)phenoxy]quinoline-5,8-dione is Cc1ccc2c(n1)C(=O)C(Oc1ccc(C(F)(F)F)cc1)=CC2=O.
What is the InChIKey of 2-methyl-7-[4-(trifluoromethyl)phenoxy]quinoline-5,8-dione?
The InChIKey is CGRBNLHNGJMXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO3/c1-9-2-7-12-13(22)8-14(16(23)15(12)21-9)24-11-5-3-10(4-6-11)17(18,19)20/h2-8H,1H3.
What are the key properties of 2-methyl-7-[4-(trifluoromethyl)phenoxy]quinoline-5,8-dione?
2-methyl-7-[4-(trifluoromethyl)phenoxy]quinoline-5,8-dione has a molecular weight of 333.27 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[4-(trifluoromethyl)phenoxy]quinoline-5,8-dione is sourced from PubChem (CID 163360811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).