6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid

C12H10F3NO2 — CID 18337487

IUPAC6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid
SMILESCc1ccc2c(c1)C=C(C(=O)O)C(C(F)(F)F)N2
InChIInChI=1S/C12H10F3NO2/c1-6-2-3-9-7(4-6)5-8(11(17)18)10(16-9)12(13,14)15/h2-5,10,16H,1H3,(H,17,18)
InChIKeyHOERSTFDLWXQSN-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.82
Rot. Bonds1

About 6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid

6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid (PubChem CID 18337487) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid
PubChem CID18337487
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid
SMILESCc1ccc2c(c1)C=C(C(=O)O)C(C(F)(F)F)N2
InChIInChI=1S/C12H10F3NO2/c1-6-2-3-9-7(4-6)5-8(11(17)18)10(16-9)12(13,14)15/h2-5,10,16H,1H3,(H,17,18)
InChIKeyHOERSTFDLWXQSN-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid?
The IUPAC name of 6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid (CID 18337487) is 6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid is Cc1ccc2c(c1)C=C(C(=O)O)C(C(F)(F)F)N2.
What is the InChIKey of 6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid?
The InChIKey is HOERSTFDLWXQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c1-6-2-3-9-7(4-6)5-8(11(17)18)10(16-9)12(13,14)15/h2-5,10,16H,1H3,(H,17,18).
What are the key properties of 6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid?
6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid has a molecular weight of 257.21 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid is sourced from PubChem (CID 18337487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).