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

C12H10F3NO3 — CID 71036706

IUPAC7-hydroxy-1-(2-hydroxyethyl)-4-(trifluoromethyl)quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(O)cc2n1CCO
InChIInChI=1S/C12H10F3NO3/c13-12(14,15)9-6-11(19)16(3-4-17)10-5-7(18)1-2-8(9)10/h1-2,5-6,17-18H,3-4H2
InChIKeyWZWSSAAAHLJQEK-UHFFFAOYSA-N
MW273.21 g/mol
LogP1.72
Rot. Bonds2

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

7-hydroxy-1-(2-hydroxyethyl)-4-(trifluoromethyl)quinolin-2-one (PubChem CID 71036706) has the molecular formula C12H10F3NO3 and a molecular weight of 273.21 g/mol. Its IUPAC name is 7-hydroxy-1-(2-hydroxyethyl)-4-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name7-hydroxy-1-(2-hydroxyethyl)-4-(trifluoromethyl)quinolin-2-one
PubChem CID71036706
Molecular FormulaC12H10F3NO3
Molecular Weight273.21 g/mol
Exact Mass273.06
IUPAC Name7-hydroxy-1-(2-hydroxyethyl)-4-(trifluoromethyl)quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(O)cc2n1CCO
InChIInChI=1S/C12H10F3NO3/c13-12(14,15)9-6-11(19)16(3-4-17)10-5-7(18)1-2-8(9)10/h1-2,5-6,17-18H,3-4H2
InChIKeyWZWSSAAAHLJQEK-UHFFFAOYSA-N
XLogP1.72
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-(2-hydroxyethyl)-4-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 7-hydroxy-1-(2-hydroxyethyl)-4-(trifluoromethyl)quinolin-2-one (CID 71036706) is 7-hydroxy-1-(2-hydroxyethyl)-4-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 7-hydroxy-1-(2-hydroxyethyl)-4-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 7-hydroxy-1-(2-hydroxyethyl)-4-(trifluoromethyl)quinolin-2-one is O=c1cc(C(F)(F)F)c2ccc(O)cc2n1CCO.
What is the InChIKey of 7-hydroxy-1-(2-hydroxyethyl)-4-(trifluoromethyl)quinolin-2-one?
The InChIKey is WZWSSAAAHLJQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3/c13-12(14,15)9-6-11(19)16(3-4-17)10-5-7(18)1-2-8(9)10/h1-2,5-6,17-18H,3-4H2.
What are the key properties of 7-hydroxy-1-(2-hydroxyethyl)-4-(trifluoromethyl)quinolin-2-one?
7-hydroxy-1-(2-hydroxyethyl)-4-(trifluoromethyl)quinolin-2-one has a molecular weight of 273.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-(2-hydroxyethyl)-4-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 71036706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).