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

C12H13F3N2O2 — CID 20637739

IUPAC(2R,4S)-4-amino-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
SMILESC[C@@H]1C[C@H](N)c2cc(C(F)(F)F)ccc2N1C(=O)O
InChIInChI=1S/C12H13F3N2O2/c1-6-4-9(16)8-5-7(12(13,14)15)2-3-10(8)17(6)11(18)19/h2-3,5-6,9H,4,16H2,1H3,(H,18,19)/t6-,9+/m1/s1
InChIKeyGMJWXLOTVYJPJW-MUWHJKNJSA-N
MW274.24 g/mol
LogP2.98
Rot. Bonds

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

(2R,4S)-4-amino-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid (PubChem CID 20637739) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is (2R,4S)-4-amino-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-amino-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
PubChem CID20637739
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name(2R,4S)-4-amino-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
SMILESC[C@@H]1C[C@H](N)c2cc(C(F)(F)F)ccc2N1C(=O)O
InChIInChI=1S/C12H13F3N2O2/c1-6-4-9(16)8-5-7(12(13,14)15)2-3-10(8)17(6)11(18)19/h2-3,5-6,9H,4,16H2,1H3,(H,18,19)/t6-,9+/m1/s1
InChIKeyGMJWXLOTVYJPJW-MUWHJKNJSA-N
XLogP2.98
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-amino-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid?
The IUPAC name of (2R,4S)-4-amino-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid (CID 20637739) is (2R,4S)-4-amino-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-amino-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid?
The canonical SMILES for (2R,4S)-4-amino-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid is C[C@@H]1C[C@H](N)c2cc(C(F)(F)F)ccc2N1C(=O)O.
What is the InChIKey of (2R,4S)-4-amino-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid?
The InChIKey is GMJWXLOTVYJPJW-MUWHJKNJSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-6-4-9(16)8-5-7(12(13,14)15)2-3-10(8)17(6)11(18)19/h2-3,5-6,9H,4,16H2,1H3,(H,18,19)/t6-,9+/m1/s1.
What are the key properties of (2R,4S)-4-amino-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid?
(2R,4S)-4-amino-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid has a molecular weight of 274.24 g/mol, XLogP of 2.98, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-amino-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid is sourced from PubChem (CID 20637739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).