7-(2,2-dimethylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

C15H17F3N2O — CID 22279035

IUPAC7-(2,2-dimethylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC(C)(C)CNc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1
InChIInChI=1S/C15H17F3N2O/c1-14(2,3)8-19-9-4-5-10-11(15(16,17)18)7-13(21)20-12(10)6-9/h4-7,19H,8H2,1-3H3,(H,20,21)
InChIKeyUBJBAPMJTKUACQ-UHFFFAOYSA-N
MW298.31 g/mol
LogP4.00
Rot. Bonds2

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

7-(2,2-dimethylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279035) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 7-(2,2-dimethylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(2,2-dimethylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279035
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name7-(2,2-dimethylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC(C)(C)CNc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1
InChIInChI=1S/C15H17F3N2O/c1-14(2,3)8-19-9-4-5-10-11(15(16,17)18)7-13(21)20-12(10)6-9/h4-7,19H,8H2,1-3H3,(H,20,21)
InChIKeyUBJBAPMJTKUACQ-UHFFFAOYSA-N
XLogP4.00
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-(2,2-dimethylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279035) is 7-(2,2-dimethylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-(2,2-dimethylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-(2,2-dimethylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is CC(C)(C)CNc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1.
What is the InChIKey of 7-(2,2-dimethylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is UBJBAPMJTKUACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-14(2,3)8-19-9-4-5-10-11(15(16,17)18)7-13(21)20-12(10)6-9/h4-7,19H,8H2,1-3H3,(H,20,21).
What are the key properties of 7-(2,2-dimethylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
7-(2,2-dimethylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 298.31 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).