7-(methylamino)-6-(2-methylpropyl)-4-(trifluoromethyl)-1H-quinolin-2-one

C15H17F3N2O — CID 22279246

IUPAC7-(methylamino)-6-(2-methylpropyl)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCNc1cc2[nH]c(=O)cc(C(F)(F)F)c2cc1CC(C)C
InChIInChI=1S/C15H17F3N2O/c1-8(2)4-9-5-10-11(15(16,17)18)6-14(21)20-13(10)7-12(9)19-3/h5-8,19H,4H2,1-3H3,(H,20,21)
InChIKeyFOVXQEOUJGKKHL-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.79
Rot. Bonds3

About 7-(methylamino)-6-(2-methylpropyl)-4-(trifluoromethyl)-1H-quinolin-2-one

7-(methylamino)-6-(2-methylpropyl)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279246) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 7-(methylamino)-6-(2-methylpropyl)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(methylamino)-6-(2-methylpropyl)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279246
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name7-(methylamino)-6-(2-methylpropyl)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCNc1cc2[nH]c(=O)cc(C(F)(F)F)c2cc1CC(C)C
InChIInChI=1S/C15H17F3N2O/c1-8(2)4-9-5-10-11(15(16,17)18)6-14(21)20-13(10)7-12(9)19-3/h5-8,19H,4H2,1-3H3,(H,20,21)
InChIKeyFOVXQEOUJGKKHL-UHFFFAOYSA-N
XLogP3.79
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279024
6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one
CID 18008402
6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 10199303
2-methylpropyl-oxo-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]amino]azanium
CID 22279218
6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279219
N-methylpentan-2-amine;propane;6-sulfanyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 142942493
6-[3-oxobutan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 122197407
6-pent-2-en-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 90954001
6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane
CID 142046924
4-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[2,3-g][1,4]benzoxazin-7-one
CID 58722870
methyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate
CID 134667295
6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279021

Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-6-(2-methylpropyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-(methylamino)-6-(2-methylpropyl)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279246) is 7-(methylamino)-6-(2-methylpropyl)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-(methylamino)-6-(2-methylpropyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-(methylamino)-6-(2-methylpropyl)-4-(trifluoromethyl)-1H-quinolin-2-one is CNc1cc2[nH]c(=O)cc(C(F)(F)F)c2cc1CC(C)C.
What is the InChIKey of 7-(methylamino)-6-(2-methylpropyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is FOVXQEOUJGKKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-8(2)4-9-5-10-11(15(16,17)18)6-14(21)20-13(10)7-12(9)19-3/h5-8,19H,4H2,1-3H3,(H,20,21).
What are the key properties of 7-(methylamino)-6-(2-methylpropyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
7-(methylamino)-6-(2-methylpropyl)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 298.31 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-6-(2-methylpropyl)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).