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

C12H11F3N2O — CID 22279252

IUPAC7-(dimethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCN(C)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1
InChIInChI=1S/C12H11F3N2O/c1-17(2)7-3-4-8-9(12(13,14)15)6-11(18)16-10(8)5-7/h3-6H,1-2H3,(H,16,18)
InChIKeyLTZFVJNRFOTCIK-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.61
Rot. Bonds1

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

7-(dimethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279252) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 7-(dimethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(dimethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279252
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name7-(dimethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCN(C)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1
InChIInChI=1S/C12H11F3N2O/c1-17(2)7-3-4-8-9(12(13,14)15)6-11(18)16-10(8)5-7/h3-6H,1-2H3,(H,16,18)
InChIKeyLTZFVJNRFOTCIK-UHFFFAOYSA-N
XLogP2.61
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-(dimethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279252) is 7-(dimethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-(dimethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-(dimethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is CN(C)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1.
What is the InChIKey of 7-(dimethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is LTZFVJNRFOTCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-17(2)7-3-4-8-9(12(13,14)15)6-11(18)16-10(8)5-7/h3-6H,1-2H3,(H,16,18).
What are the key properties of 7-(dimethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
7-(dimethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 256.23 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).