7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one

C11H8F3NO2 — CID 10890098

IUPAC7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCOc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1
InChIInChI=1S/C11H8F3NO2/c1-17-6-2-3-7-8(11(12,13)14)5-10(16)15-9(7)4-6/h2-5H,1H3,(H,15,16)
InChIKeyQYGPHDXLGPNGIL-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.56
Rot. Bonds1

About 7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one

7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 10890098) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID10890098
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCOc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1
InChIInChI=1S/C11H8F3NO2/c1-17-6-2-3-7-8(11(12,13)14)5-10(16)15-9(7)4-6/h2-5H,1H3,(H,15,16)
InChIKeyQYGPHDXLGPNGIL-UHFFFAOYSA-N
XLogP2.56
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one (CID 10890098) is 7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one is COc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1.
What is the InChIKey of 7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is QYGPHDXLGPNGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c1-17-6-2-3-7-8(11(12,13)14)5-10(16)15-9(7)4-6/h2-5H,1H3,(H,15,16).
What are the key properties of 7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one?
7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 243.18 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 10890098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).