6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one

C13H10F6N2O — CID 23644730

IUPAC6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one
SMILESO=c1ccc2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C13H10F6N2O/c14-12(15,16)6-21(7-13(17,18)19)9-2-3-10-8(5-9)1-4-11(22)20-10/h1-5H,6-7H2,(H,20,22)
InChIKeyFWWVTQIQPUIKFW-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.46
Rot. Bonds3

About 6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one

6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one (PubChem CID 23644730) has the molecular formula C13H10F6N2O and a molecular weight of 324.22 g/mol. Its IUPAC name is 6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one
PubChem CID23644730
Molecular FormulaC13H10F6N2O
Molecular Weight324.22 g/mol
Exact Mass324.07
IUPAC Name6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one
SMILESO=c1ccc2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C13H10F6N2O/c14-12(15,16)6-21(7-13(17,18)19)9-2-3-10-8(5-9)1-4-11(22)20-10/h1-5H,6-7H2,(H,20,22)
InChIKeyFWWVTQIQPUIKFW-UHFFFAOYSA-N
XLogP3.46
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[bis(2,2,2-trifluoroethyl)amino]-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

2-Hydroxyquinoline
CID 6038
Lgd 2226
CID 11560224
N-[2-(trifluoromethyl)phenyl]acetamide
CID 67655
3-Fluoro-1,2-dihydroquinolin-2-one
CID 11094963
Acetamide, N-(3-(trifluoromethyl)phenyl)-
CID 9595
N-(4-Amino-3-(trifluoromethyl)phenyl)acetamide
CID 16227548
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
6-[Ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9927792
6-[Bis(2,2,2-trifluoroethyl)amino]-4-methyl-1,2-dihydroquinolin-2-one
CID 22279296
Acetanilide, 2,2,2-trifluoro-3'-(trifluoromethyl)-
CID 101316
6-Amino-1,3-dimethyl-1,2-dihydroquinolin-2-one
CID 83636605

Frequently Asked Questions

What is the IUPAC name of 6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one?
The IUPAC name of 6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one (CID 23644730) is 6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one.
What is the SMILES notation for 6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one?
The canonical SMILES for 6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one is O=c1ccc2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1.
What is the InChIKey of 6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one?
The InChIKey is FWWVTQIQPUIKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F6N2O/c14-12(15,16)6-21(7-13(17,18)19)9-2-3-10-8(5-9)1-4-11(22)20-10/h1-5H,6-7H2,(H,20,22).
What are the key properties of 6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one?
6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one has a molecular weight of 324.22 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one is sourced from PubChem (CID 23644730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).