3-amino-1-methyl-8-(trifluoromethyl)-2,4-dihydroquinoline-3-carboxylic acid

C12H13F3N2O2 — CID 82626108

IUPAC3-amino-1-methyl-8-(trifluoromethyl)-2,4-dihydroquinoline-3-carboxylic acid
SMILESCN1CC(N)(C(=O)O)Cc2cccc(C(F)(F)F)c21
InChIInChI=1S/C12H13F3N2O2/c1-17-6-11(16,10(18)19)5-7-3-2-4-8(9(7)17)12(13,14)15/h2-4H,5-6,16H2,1H3,(H,18,19)
InChIKeyDLPUOPBFXVJFNH-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.48
Rot. Bonds1

About 3-amino-1-methyl-8-(trifluoromethyl)-2,4-dihydroquinoline-3-carboxylic acid

3-amino-1-methyl-8-(trifluoromethyl)-2,4-dihydroquinoline-3-carboxylic acid (PubChem CID 82626108) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 3-amino-1-methyl-8-(trifluoromethyl)-2,4-dihydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-methyl-8-(trifluoromethyl)-2,4-dihydroquinoline-3-carboxylic acid
PubChem CID82626108
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name3-amino-1-methyl-8-(trifluoromethyl)-2,4-dihydroquinoline-3-carboxylic acid
SMILESCN1CC(N)(C(=O)O)Cc2cccc(C(F)(F)F)c21
InChIInChI=1S/C12H13F3N2O2/c1-17-6-11(16,10(18)19)5-7-3-2-4-8(9(7)17)12(13,14)15/h2-4H,5-6,16H2,1H3,(H,18,19)
InChIKeyDLPUOPBFXVJFNH-UHFFFAOYSA-N
XLogP1.48
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-8-(trifluoromethyl)-2,4-dihydroquinoline-3-carboxylic acid?
The IUPAC name of 3-amino-1-methyl-8-(trifluoromethyl)-2,4-dihydroquinoline-3-carboxylic acid (CID 82626108) is 3-amino-1-methyl-8-(trifluoromethyl)-2,4-dihydroquinoline-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-methyl-8-(trifluoromethyl)-2,4-dihydroquinoline-3-carboxylic acid?
The canonical SMILES for 3-amino-1-methyl-8-(trifluoromethyl)-2,4-dihydroquinoline-3-carboxylic acid is CN1CC(N)(C(=O)O)Cc2cccc(C(F)(F)F)c21.
What is the InChIKey of 3-amino-1-methyl-8-(trifluoromethyl)-2,4-dihydroquinoline-3-carboxylic acid?
The InChIKey is DLPUOPBFXVJFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-17-6-11(16,10(18)19)5-7-3-2-4-8(9(7)17)12(13,14)15/h2-4H,5-6,16H2,1H3,(H,18,19).
What are the key properties of 3-amino-1-methyl-8-(trifluoromethyl)-2,4-dihydroquinoline-3-carboxylic acid?
3-amino-1-methyl-8-(trifluoromethyl)-2,4-dihydroquinoline-3-carboxylic acid has a molecular weight of 274.24 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-8-(trifluoromethyl)-2,4-dihydroquinoline-3-carboxylic acid is sourced from PubChem (CID 82626108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).