1-(2-aminoethyl)-7-hydroxy-4-(trifluoromethyl)quinolin-2-one

C12H11F3N2O2 — CID 52912225

IUPAC1-(2-aminoethyl)-7-hydroxy-4-(trifluoromethyl)quinolin-2-one
SMILESNCCn1c(=O)cc(C(F)(F)F)c2ccc(O)cc21
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)9-6-11(19)17(4-3-16)10-5-7(18)1-2-8(9)10/h1-2,5-6,18H,3-4,16H2
InChIKeyMZQWSDDEBSLUGW-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.68
Rot. Bonds2

About 1-(2-aminoethyl)-7-hydroxy-4-(trifluoromethyl)quinolin-2-one

1-(2-aminoethyl)-7-hydroxy-4-(trifluoromethyl)quinolin-2-one (PubChem CID 52912225) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 1-(2-aminoethyl)-7-hydroxy-4-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-7-hydroxy-4-(trifluoromethyl)quinolin-2-one
PubChem CID52912225
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name1-(2-aminoethyl)-7-hydroxy-4-(trifluoromethyl)quinolin-2-one
SMILESNCCn1c(=O)cc(C(F)(F)F)c2ccc(O)cc21
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)9-6-11(19)17(4-3-16)10-5-7(18)1-2-8(9)10/h1-2,5-6,18H,3-4,16H2
InChIKeyMZQWSDDEBSLUGW-UHFFFAOYSA-N
XLogP1.68
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-4-(trifluoromethyl)quinolin-2-one
CID 91434703
3-(2-fluoropropan-2-yl)-1-methylindol-6-ol
CID 84675129
3-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)quinazoline-2,4-dione
CID 117262969
1-(2-aminoethyl)-4-hydroxy-6-methylpyridin-2-one
CID 82503073
1-hydroxy-4-(trifluoromethyl)quinolin-2-one
CID 141055492
2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
CID 84684327
2-[1-ethyl-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxy-N-propan-2-ylacetamide
CID 42877957
7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one
CID 115063117
4-[2-(4-amino-7-hydroxy-2-oxoquinolin-1-yl)ethyl]piperidine-4-carbonitrile
CID 154553565
1-(1,3-dioxolan-2-ylmethyl)-7-hydroxy-4-methylquinolin-2-one
CID 59397875
4-(aminomethyl)-6-hydroxy-1-methylquinolin-2-one
CID 115023409
1-ethyl-3-(2-hydroxypropan-2-yl)indol-6-ol
CID 117122286

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-7-hydroxy-4-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 1-(2-aminoethyl)-7-hydroxy-4-(trifluoromethyl)quinolin-2-one (CID 52912225) is 1-(2-aminoethyl)-7-hydroxy-4-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-7-hydroxy-4-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-7-hydroxy-4-(trifluoromethyl)quinolin-2-one is NCCn1c(=O)cc(C(F)(F)F)c2ccc(O)cc21.
What is the InChIKey of 1-(2-aminoethyl)-7-hydroxy-4-(trifluoromethyl)quinolin-2-one?
The InChIKey is MZQWSDDEBSLUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c13-12(14,15)9-6-11(19)17(4-3-16)10-5-7(18)1-2-8(9)10/h1-2,5-6,18H,3-4,16H2.
What are the key properties of 1-(2-aminoethyl)-7-hydroxy-4-(trifluoromethyl)quinolin-2-one?
1-(2-aminoethyl)-7-hydroxy-4-(trifluoromethyl)quinolin-2-one has a molecular weight of 272.23 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-7-hydroxy-4-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 52912225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).