7-(cyclohexylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

C16H17F3N2O — CID 22279256

IUPAC7-(cyclohexylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(NC3CCCCC3)cc2[nH]1
InChIInChI=1S/C16H17F3N2O/c17-16(18,19)13-9-15(22)21-14-8-11(6-7-12(13)14)20-10-4-2-1-3-5-10/h6-10,20H,1-5H2,(H,21,22)
InChIKeyJFHYFIYBILOOPW-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.29
Rot. Bonds2

About 7-(cyclohexylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

7-(cyclohexylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279256) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is 7-(cyclohexylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(cyclohexylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279256
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name7-(cyclohexylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(NC3CCCCC3)cc2[nH]1
InChIInChI=1S/C16H17F3N2O/c17-16(18,19)13-9-15(22)21-14-8-11(6-7-12(13)14)20-10-4-2-1-3-5-10/h6-10,20H,1-5H2,(H,21,22)
InChIKeyJFHYFIYBILOOPW-UHFFFAOYSA-N
XLogP4.29
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-(cyclohexylamino)-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

Related Compounds

Lgd 2226
CID 11560224
LG-121071
CID 9839132
6-[Bis(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9820051
6-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9884851
N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
7-Amino-4-methyl-2-quinolinone
CID 88277
6-[(2,2-Difluoroethyl)(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9885897
6-[Bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1,2-dihydroquinolin-2-one
CID 23648061
7-Amino-4-trifluoromethyl-2-quinolinone
CID 194069
6-(Cyclopentylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9817655
6-[(2,2,2-Trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9818136
6-[(2-Methylpropyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9838735

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-(cyclohexylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279256) is 7-(cyclohexylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-(cyclohexylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-(cyclohexylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2ccc(NC3CCCCC3)cc2[nH]1.
What is the InChIKey of 7-(cyclohexylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is JFHYFIYBILOOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c17-16(18,19)13-9-15(22)21-14-8-11(6-7-12(13)14)20-10-4-2-1-3-5-10/h6-10,20H,1-5H2,(H,21,22).
What are the key properties of 7-(cyclohexylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
7-(cyclohexylamino)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 310.32 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).