6-(aminomethyl)-1-methyl-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one

C15H17F3N2O — CID 170587482

IUPAC6-(aminomethyl)-1-methyl-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one
SMILESCC(C)c1c(C(F)(F)F)c2cc(CN)ccc2n(C)c1=O
InChIInChI=1S/C15H17F3N2O/c1-8(2)12-13(15(16,17)18)10-6-9(7-19)4-5-11(10)20(3)14(12)21/h4-6,8H,7,19H2,1-3H3
InChIKeyJYIJHUKDLDZZPJ-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.14
Rot. Bonds2

About 6-(aminomethyl)-1-methyl-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one

6-(aminomethyl)-1-methyl-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one (PubChem CID 170587482) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 6-(aminomethyl)-1-methyl-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-1-methyl-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one
PubChem CID170587482
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name6-(aminomethyl)-1-methyl-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one
SMILESCC(C)c1c(C(F)(F)F)c2cc(CN)ccc2n(C)c1=O
InChIInChI=1S/C15H17F3N2O/c1-8(2)12-13(15(16,17)18)10-6-9(7-19)4-5-11(10)20(3)14(12)21/h4-6,8H,7,19H2,1-3H3
InChIKeyJYIJHUKDLDZZPJ-UHFFFAOYSA-N
XLogP3.14
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-6-(oxolan-2-yl)-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one
CID 170587525
6-[(dimethylamino)methyl]-3-ethyl-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 170587653
[5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine
CID 84635897
[3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
CID 155419142
6-[2-(dimethylamino)ethyl]-1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one
CID 170588709
(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine
CID 82048401
[1-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]methanamine
CID 103213105
3-(1-aminoethyl)-1-methyl-6-(trifluoromethyl)quinazoline-2,4-dione
CID 117262584
5-ethyl-1-methyl-3-propan-2-ylindole-2-carboxylic acid
CID 84631918
6-(aminomethyl)-3-methyl-1H-benzimidazol-2-one
CID 65037640
6-cyclopropyl-1,4-dimethyl-3-propan-2-ylquinolin-2-one
CID 146630373
3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one
CID 84623498

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-1-methyl-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 6-(aminomethyl)-1-methyl-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one (CID 170587482) is 6-(aminomethyl)-1-methyl-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 6-(aminomethyl)-1-methyl-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 6-(aminomethyl)-1-methyl-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one is CC(C)c1c(C(F)(F)F)c2cc(CN)ccc2n(C)c1=O.
What is the InChIKey of 6-(aminomethyl)-1-methyl-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one?
The InChIKey is JYIJHUKDLDZZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-8(2)12-13(15(16,17)18)10-6-9(7-19)4-5-11(10)20(3)14(12)21/h4-6,8H,7,19H2,1-3H3.
What are the key properties of 6-(aminomethyl)-1-methyl-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one?
6-(aminomethyl)-1-methyl-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one has a molecular weight of 298.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-1-methyl-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 170587482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).