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

C14H12F6N2O2 — CID 23648055

IUPAC6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(N(CCO)CC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C14H12F6N2O2/c15-13(16,17)7-22(3-4-23)8-1-2-11-9(5-8)10(14(18,19)20)6-12(24)21-11/h1-2,5-6,23H,3-4,7H2,(H,21,24)
InChIKeyPFPIAAVBEPSGTQ-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.91
Rot. Bonds4

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

6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 23648055) has the molecular formula C14H12F6N2O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID23648055
Molecular FormulaC14H12F6N2O2
Molecular Weight354.25 g/mol
Exact Mass354.08
IUPAC Name6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(N(CCO)CC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C14H12F6N2O2/c15-13(16,17)7-22(3-4-23)8-1-2-11-9(5-8)10(14(18,19)20)6-12(24)21-11/h1-2,5-6,23H,3-4,7H2,(H,21,24)
InChIKeyPFPIAAVBEPSGTQ-UHFFFAOYSA-N
XLogP2.91
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one with MolForge

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Related Compounds

Lgd 2226
CID 11560224
Lgd-2941
CID 16750192
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
6-[(2,2-Difluoroethyl)(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9885897
6-[(2-Chloroethyl)(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9951393
6-[Bis(2,2,2-trifluoroethyl)amino]-1,2-dihydroquinolin-2-one
CID 23644730
6-[(2-Chloro-2,2-difluoroethyl)(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 23648048
6-[Bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1,2-dihydroquinolin-2-one
CID 23648061
6-[Bis(2,2,2-trifluoroethyl)amino]-4-chloro-1,2-dihydroquinolin-2-one
CID 23648062

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one (CID 23648055) is 6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2cc(N(CCO)CC(F)(F)F)ccc2[nH]1.
What is the InChIKey of 6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is PFPIAAVBEPSGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F6N2O2/c15-13(16,17)7-22(3-4-23)8-1-2-11-9(5-8)10(14(18,19)20)6-12(24)21-11/h1-2,5-6,23H,3-4,7H2,(H,21,24).
What are the key properties of 6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 354.25 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 23648055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).