6-[bis(2,2,2-trifluoroethyl)amino]-4-ethyl-1H-quinolin-2-one

C15H14F6N2O — CID 22279076

IUPAC6-[bis(2,2,2-trifluoroethyl)amino]-4-ethyl-1H-quinolin-2-one
SMILESCCc1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12
InChIInChI=1S/C15H14F6N2O/c1-2-9-5-13(24)22-12-4-3-10(6-11(9)12)23(7-14(16,17)18)8-15(19,20)21/h3-6H,2,7-8H2,1H3,(H,22,24)
InChIKeyVEVDGOPJKLREFE-UHFFFAOYSA-N
MW352.28 g/mol
LogP4.02
Rot. Bonds4

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

6-[bis(2,2,2-trifluoroethyl)amino]-4-ethyl-1H-quinolin-2-one (PubChem CID 22279076) has the molecular formula C15H14F6N2O and a molecular weight of 352.28 g/mol. Its IUPAC name is 6-[bis(2,2,2-trifluoroethyl)amino]-4-ethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[bis(2,2,2-trifluoroethyl)amino]-4-ethyl-1H-quinolin-2-one
PubChem CID22279076
Molecular FormulaC15H14F6N2O
Molecular Weight352.28 g/mol
Exact Mass352.10
IUPAC Name6-[bis(2,2,2-trifluoroethyl)amino]-4-ethyl-1H-quinolin-2-one
SMILESCCc1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12
InChIInChI=1S/C15H14F6N2O/c1-2-9-5-13(24)22-12-4-3-10(6-11(9)12)23(7-14(16,17)18)8-15(19,20)21/h3-6H,2,7-8H2,1H3,(H,22,24)
InChIKeyVEVDGOPJKLREFE-UHFFFAOYSA-N
XLogP4.02
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Lgd 2226
CID 11560224
4-Methylquinolin-2-ol
CID 69088
3-Trifluoromethylisobutyranilide
CID 137264
N-[2-(trifluoromethyl)phenyl]acetamide
CID 67655
Acetamide, N-(3-(trifluoromethyl)phenyl)-
CID 9595
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
1,4-Dimethyl-2-quinolone
CID 97252
N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
Acetanilide, 2,2,2-trifluoro-3'-(trifluoromethyl)-
CID 101316

Frequently Asked Questions

What is the IUPAC name of 6-[bis(2,2,2-trifluoroethyl)amino]-4-ethyl-1H-quinolin-2-one?
The IUPAC name of 6-[bis(2,2,2-trifluoroethyl)amino]-4-ethyl-1H-quinolin-2-one (CID 22279076) is 6-[bis(2,2,2-trifluoroethyl)amino]-4-ethyl-1H-quinolin-2-one.
What is the SMILES notation for 6-[bis(2,2,2-trifluoroethyl)amino]-4-ethyl-1H-quinolin-2-one?
The canonical SMILES for 6-[bis(2,2,2-trifluoroethyl)amino]-4-ethyl-1H-quinolin-2-one is CCc1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12.
What is the InChIKey of 6-[bis(2,2,2-trifluoroethyl)amino]-4-ethyl-1H-quinolin-2-one?
The InChIKey is VEVDGOPJKLREFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F6N2O/c1-2-9-5-13(24)22-12-4-3-10(6-11(9)12)23(7-14(16,17)18)8-15(19,20)21/h3-6H,2,7-8H2,1H3,(H,22,24).
What are the key properties of 6-[bis(2,2,2-trifluoroethyl)amino]-4-ethyl-1H-quinolin-2-one?
6-[bis(2,2,2-trifluoroethyl)amino]-4-ethyl-1H-quinolin-2-one has a molecular weight of 352.28 g/mol, XLogP of 4.02, 4 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]-4-ethyl-1H-quinolin-2-one is sourced from PubChem (CID 22279076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).