6,8-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one

C12H10F3NO3 — CID 2794452

IUPAC6,8-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCOc1cc(OC)c2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C12H10F3NO3/c1-18-6-3-7-8(12(13,14)15)5-10(17)16-11(7)9(4-6)19-2/h3-5H,1-2H3,(H,16,17)
InChIKeyFPMOEIQPXJUCKR-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.56
Rot. Bonds2

About 6,8-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one

6,8-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 2794452) has the molecular formula C12H10F3NO3 and a molecular weight of 273.21 g/mol. Its IUPAC name is 6,8-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6,8-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID2794452
Molecular FormulaC12H10F3NO3
Molecular Weight273.21 g/mol
Exact Mass273.06
IUPAC Name6,8-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCOc1cc(OC)c2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C12H10F3NO3/c1-18-6-3-7-8(12(13,14)15)5-10(17)16-11(7)9(4-6)19-2/h3-5H,1-2H3,(H,16,17)
InChIKeyFPMOEIQPXJUCKR-UHFFFAOYSA-N
XLogP2.56
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6,8-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one (CID 2794452) is 6,8-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6,8-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6,8-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one is COc1cc(OC)c2[nH]c(=O)cc(C(F)(F)F)c2c1.
What is the InChIKey of 6,8-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is FPMOEIQPXJUCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3/c1-18-6-3-7-8(12(13,14)15)5-10(17)16-11(7)9(4-6)19-2/h3-5H,1-2H3,(H,16,17).
What are the key properties of 6,8-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one?
6,8-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 273.21 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 2794452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).