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

C14H12F6N2O — CID 22279296

IUPAC6-[bis(2,2,2-trifluoroethyl)amino]-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12
InChIInChI=1S/C14H12F6N2O/c1-8-4-12(23)21-11-3-2-9(5-10(8)11)22(6-13(15,16)17)7-14(18,19)20/h2-5H,6-7H2,1H3,(H,21,23)
InChIKeyVGAKCOHWSSQOBR-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.77
Rot. Bonds3

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

6-[bis(2,2,2-trifluoroethyl)amino]-4-methyl-1H-quinolin-2-one (PubChem CID 22279296) has the molecular formula C14H12F6N2O and a molecular weight of 338.25 g/mol. Its IUPAC name is 6-[bis(2,2,2-trifluoroethyl)amino]-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[bis(2,2,2-trifluoroethyl)amino]-4-methyl-1H-quinolin-2-one
PubChem CID22279296
Molecular FormulaC14H12F6N2O
Molecular Weight338.25 g/mol
Exact Mass338.09
IUPAC Name6-[bis(2,2,2-trifluoroethyl)amino]-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12
InChIInChI=1S/C14H12F6N2O/c1-8-4-12(23)21-11-3-2-9(5-10(8)11)22(6-13(15,16)17)7-14(18,19)20/h2-5H,6-7H2,1H3,(H,21,23)
InChIKeyVGAKCOHWSSQOBR-UHFFFAOYSA-N
XLogP3.77
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(2,2,2-trifluoroethyl)amino]-4-methyl-1H-quinolin-2-one?
The IUPAC name of 6-[bis(2,2,2-trifluoroethyl)amino]-4-methyl-1H-quinolin-2-one (CID 22279296) is 6-[bis(2,2,2-trifluoroethyl)amino]-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6-[bis(2,2,2-trifluoroethyl)amino]-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 6-[bis(2,2,2-trifluoroethyl)amino]-4-methyl-1H-quinolin-2-one is Cc1cc(=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-methyl-1H-quinolin-2-one?
The InChIKey is VGAKCOHWSSQOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F6N2O/c1-8-4-12(23)21-11-3-2-9(5-10(8)11)22(6-13(15,16)17)7-14(18,19)20/h2-5H,6-7H2,1H3,(H,21,23).
What are the key properties of 6-[bis(2,2,2-trifluoroethyl)amino]-4-methyl-1H-quinolin-2-one?
6-[bis(2,2,2-trifluoroethyl)amino]-4-methyl-1H-quinolin-2-one has a molecular weight of 338.25 g/mol, XLogP of 3.77, 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]-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 22279296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).