6-methyl-7-(2-methylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

C15H17F3N2O — CID 22279049

IUPAC6-methyl-7-(2-methylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1NCC(C)C
InChIInChI=1S/C15H17F3N2O/c1-8(2)7-19-12-6-13-10(4-9(12)3)11(15(16,17)18)5-14(21)20-13/h4-6,8,19H,7H2,1-3H3,(H,20,21)
InChIKeyBVPWKGIVOGQANB-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.92
Rot. Bonds3

About 6-methyl-7-(2-methylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

6-methyl-7-(2-methylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279049) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 6-methyl-7-(2-methylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-7-(2-methylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279049
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name6-methyl-7-(2-methylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1NCC(C)C
InChIInChI=1S/C15H17F3N2O/c1-8(2)7-19-12-6-13-10(4-9(12)3)11(15(16,17)18)5-14(21)20-13/h4-6,8,19H,7H2,1-3H3,(H,20,21)
InChIKeyBVPWKGIVOGQANB-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Propanamide, N-(1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethyl-7-quinolinyl)-
CID 112580
LG-121071
CID 9839132
7-Amino-4-methyl-2-quinolinone
CID 88277
7-Amino-4-trifluoromethyl-2-quinolinone
CID 194069
6-[(2,2,2-Trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9818136
6-[(2-Methylpropyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9838735
6-((2,2,3,3,3-Pentafluoropropyl)amino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9841791
4-(Trifluoromethyl)-6-(propylamino)quinoline-2(1H)-one
CID 9903530
6-[Ethyl(propan-2-yl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9904328
6-[(2,2-Dimethylpropyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9926254
6-(Propan-2-ylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 10199303
4-(Trifluoromethyl)-8,8-dimethyl-8,9-dihydropyrido[3,2-g]quinolin-2(1H)-one
CID 10851308

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(2-methylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-methyl-7-(2-methylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279049) is 6-methyl-7-(2-methylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-7-(2-methylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-7-(2-methylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is Cc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1NCC(C)C.
What is the InChIKey of 6-methyl-7-(2-methylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is BVPWKGIVOGQANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-8(2)7-19-12-6-13-10(4-9(12)3)11(15(16,17)18)5-14(21)20-13/h4-6,8,19H,7H2,1-3H3,(H,20,21).
What are the key properties of 6-methyl-7-(2-methylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
6-methyl-7-(2-methylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 298.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(2-methylpropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).