6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one

C16H12F3NO — CID 12000936

IUPAC6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
InChIKeyWNVWLPPJRMIRBG-UHFFFAOYSA-N
MW291.27 g/mol
LogP4.26
Rot. Bonds1

About 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one

6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 12000936) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID12000936
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
InChIKeyWNVWLPPJRMIRBG-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-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 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one (CID 12000936) is 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WNVWLPPJRMIRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21).
What are the key properties of 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one?
6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 291.27 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 12000936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).