6-chloro-1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid

C12H11ClF3NO2 — CID 22639039

IUPAC6-chloro-1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESCN1c2ccc(Cl)cc2CC(C(=O)O)C1C(F)(F)F
InChIInChI=1S/C12H11ClF3NO2/c1-17-9-3-2-7(13)4-6(9)5-8(11(18)19)10(17)12(14,15)16/h2-4,8,10H,5H2,1H3,(H,18,19)
InChIKeyXMVBIANJUOOBQB-UHFFFAOYSA-N
MW293.67 g/mol
LogP2.96
Rot. Bonds1

About 6-chloro-1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid

6-chloro-1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (PubChem CID 22639039) has the molecular formula C12H11ClF3NO2 and a molecular weight of 293.67 g/mol. Its IUPAC name is 6-chloro-1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
PubChem CID22639039
Molecular FormulaC12H11ClF3NO2
Molecular Weight293.67 g/mol
Exact Mass293.04
IUPAC Name6-chloro-1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESCN1c2ccc(Cl)cc2CC(C(=O)O)C1C(F)(F)F
InChIInChI=1S/C12H11ClF3NO2/c1-17-9-3-2-7(13)4-6(9)5-8(11(18)19)10(17)12(14,15)16/h2-4,8,10H,5H2,1H3,(H,18,19)
InChIKeyXMVBIANJUOOBQB-UHFFFAOYSA-N
XLogP2.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.67
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (CID 22639039) is 6-chloro-1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is CN1c2ccc(Cl)cc2CC(C(=O)O)C1C(F)(F)F.
What is the InChIKey of 6-chloro-1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The InChIKey is XMVBIANJUOOBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3NO2/c1-17-9-3-2-7(13)4-6(9)5-8(11(18)19)10(17)12(14,15)16/h2-4,8,10H,5H2,1H3,(H,18,19).
What are the key properties of 6-chloro-1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
6-chloro-1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid has a molecular weight of 293.67 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 22639039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).