2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one

C14H14F3NO — CID 162537419

IUPAC2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one
SMILESCCCCc1cc(=O)c2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C14H14F3NO/c1-2-3-4-10-8-13(19)11-7-9(14(15,16)17)5-6-12(11)18-10/h5-8H,2-4H2,1H3,(H,18,19)
InChIKeyVUFHDQSAQPUJGJ-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.89
Rot. Bonds3

About 2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one

2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 162537419) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID162537419
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one
SMILESCCCCc1cc(=O)c2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C14H14F3NO/c1-2-3-4-10-8-13(19)11-7-9(14(15,16)17)5-6-12(11)18-10/h5-8H,2-4H2,1H3,(H,18,19)
InChIKeyVUFHDQSAQPUJGJ-UHFFFAOYSA-N
XLogP3.89
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

6-bromo-2-butyl-1H-quinolin-4-one
CID 155408645
2-[4-oxo-6-(trifluoromethyl)-1H-quinolin-2-yl]acetamide
CID 25174759
6-tert-butyl-2-ethyl-1H-quinolin-4-one
CID 43668294
2-heptyl-1H-quinolin-4-one
CID 172676764
2-heptyl-1H-quinolin-4-one
CID 172676765
2-heptyl-6-(2-sulfanylethyl)-1H-quinolin-4-one
CID 156870341
3-butyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 118886530
6-butyl-2-(methoxymethyl)-1H-quinolin-4-one
CID 55062157
3-ethyl-2-propyl-5-(trifluoromethyl)-1H-indole
CID 155108242
methyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylate
CID 2741057
N-methyl-3-[5-(trifluoromethyl)-1H-indol-2-yl]propan-1-amine
CID 117195108
2-[(Z)-undec-4-enyl]-1H-quinolin-4-one
CID 139586265

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one (CID 162537419) is 2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one is CCCCc1cc(=O)c2cc(C(F)(F)F)ccc2[nH]1.
What is the InChIKey of 2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is VUFHDQSAQPUJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-2-3-4-10-8-13(19)11-7-9(14(15,16)17)5-6-12(11)18-10/h5-8H,2-4H2,1H3,(H,18,19).
What are the key properties of 2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one?
2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 269.27 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 162537419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).