6-[butyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one

C16H16F6N2O — CID 23648050

IUPAC6-[butyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCCCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C16H16F6N2O/c1-2-3-6-24(9-15(17,18)19)10-4-5-13-11(7-10)12(16(20,21)22)8-14(25)23-13/h4-5,7-8H,2-3,6,9H2,1H3,(H,23,25)
InChIKeyWJQSBUBHFPBEBS-UHFFFAOYSA-N
MW366.31 g/mol
LogP4.72
Rot. Bonds5

About 6-[butyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one

6-[butyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 23648050) has the molecular formula C16H16F6N2O and a molecular weight of 366.31 g/mol. Its IUPAC name is 6-[butyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[butyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID23648050
Molecular FormulaC16H16F6N2O
Molecular Weight366.31 g/mol
Exact Mass366.12
IUPAC Name6-[butyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCCCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C16H16F6N2O/c1-2-3-6-24(9-15(17,18)19)10-4-5-13-11(7-10)12(16(20,21)22)8-14(25)23-13/h4-5,7-8H,2-3,6,9H2,1H3,(H,23,25)
InChIKeyWJQSBUBHFPBEBS-UHFFFAOYSA-N
XLogP4.72
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[butyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-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-[butyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-[butyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one (CID 23648050) is 6-[butyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-[butyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-[butyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one is CCCCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1.
What is the InChIKey of 6-[butyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is WJQSBUBHFPBEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F6N2O/c1-2-3-6-24(9-15(17,18)19)10-4-5-13-11(7-10)12(16(20,21)22)8-14(25)23-13/h4-5,7-8H,2-3,6,9H2,1H3,(H,23,25).
What are the key properties of 6-[butyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
6-[butyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 366.31 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 23648050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).