5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one

C13H11ClF3NO3 — CID 63743883

IUPAC5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCOc1cc(OC)c2[nH]c(C(F)(F)F)c(C)c(=O)c2c1Cl
InChIInChI=1S/C13H11ClF3NO3/c1-5-11(19)8-9(14)6(20-2)4-7(21-3)10(8)18-12(5)13(15,16)17/h4H,1-3H3,(H,18,19)
InChIKeyAZEUVAXQULNAOD-UHFFFAOYSA-N
MW321.68 g/mol
LogP3.53
Rot. Bonds2

About 5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one

5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 63743883) has the molecular formula C13H11ClF3NO3 and a molecular weight of 321.68 g/mol. Its IUPAC name is 5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID63743883
Molecular FormulaC13H11ClF3NO3
Molecular Weight321.68 g/mol
Exact Mass321.04
IUPAC Name5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCOc1cc(OC)c2[nH]c(C(F)(F)F)c(C)c(=O)c2c1Cl
InChIInChI=1S/C13H11ClF3NO3/c1-5-11(19)8-9(14)6(20-2)4-7(21-3)10(8)18-12(5)13(15,16)17/h4H,1-3H3,(H,18,19)
InChIKeyAZEUVAXQULNAOD-UHFFFAOYSA-N
XLogP3.53
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.68
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one (CID 63743883) is 5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one is COc1cc(OC)c2[nH]c(C(F)(F)F)c(C)c(=O)c2c1Cl.
What is the InChIKey of 5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is AZEUVAXQULNAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3NO3/c1-5-11(19)8-9(14)6(20-2)4-7(21-3)10(8)18-12(5)13(15,16)17/h4H,1-3H3,(H,18,19).
What are the key properties of 5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 321.68 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6,8-dimethoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 63743883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).