8-chloro-5-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one

C11H7ClF3NO2 — CID 624050

IUPAC8-chloro-5-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCOc1ccc(Cl)c2[nH]c(C(F)(F)F)cc(=O)c12
InChIInChI=1S/C11H7ClF3NO2/c1-18-7-3-2-5(12)10-9(7)6(17)4-8(16-10)11(13,14)15/h2-4H,1H3,(H,16,17)
InChIKeyZYBMGCIHRJQXGS-UHFFFAOYSA-N
MW277.63 g/mol
LogP3.21
Rot. Bonds1

About 8-chloro-5-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one

8-chloro-5-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 624050) has the molecular formula C11H7ClF3NO2 and a molecular weight of 277.63 g/mol. Its IUPAC name is 8-chloro-5-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-5-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID624050
Molecular FormulaC11H7ClF3NO2
Molecular Weight277.63 g/mol
Exact Mass277.01
IUPAC Name8-chloro-5-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCOc1ccc(Cl)c2[nH]c(C(F)(F)F)cc(=O)c12
InChIInChI=1S/C11H7ClF3NO2/c1-18-7-3-2-5(12)10-9(7)6(17)4-8(16-10)11(13,14)15/h2-4H,1H3,(H,16,17)
InChIKeyZYBMGCIHRJQXGS-UHFFFAOYSA-N
XLogP3.21
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.63
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 8-chloro-5-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one (CID 624050) is 8-chloro-5-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-5-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-5-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one is COc1ccc(Cl)c2[nH]c(C(F)(F)F)cc(=O)c12.
What is the InChIKey of 8-chloro-5-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is ZYBMGCIHRJQXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NO2/c1-18-7-3-2-5(12)10-9(7)6(17)4-8(16-10)11(13,14)15/h2-4H,1H3,(H,16,17).
What are the key properties of 8-chloro-5-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one?
8-chloro-5-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 277.63 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 624050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).