(2R,3S)-3-amino-2,3-diethyl-6-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylic acid

C15H19F3N2O2 — CID 150306735

IUPAC(2R,3S)-3-amino-2,3-diethyl-6-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylic acid
SMILESCC[C@]1(N)Cc2cc(C(F)(F)F)ccc2N[C@@]1(CC)C(=O)O
InChIInChI=1S/C15H19F3N2O2/c1-3-13(19)8-9-7-10(15(16,17)18)5-6-11(9)20-14(13,4-2)12(21)22/h5-7,20H,3-4,8,19H2,1-2H3,(H,21,22)/t13-,14-/m0/s1
InChIKeyGKTHKZWTWJIEPU-KBPBESRZSA-N
MW316.32 g/mol
LogP3.01
Rot. Bonds3

About (2R,3S)-3-amino-2,3-diethyl-6-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylic acid

(2R,3S)-3-amino-2,3-diethyl-6-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylic acid (PubChem CID 150306735) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is (2R,3S)-3-amino-2,3-diethyl-6-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-amino-2,3-diethyl-6-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylic acid
PubChem CID150306735
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name(2R,3S)-3-amino-2,3-diethyl-6-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylic acid
SMILESCC[C@]1(N)Cc2cc(C(F)(F)F)ccc2N[C@@]1(CC)C(=O)O
InChIInChI=1S/C15H19F3N2O2/c1-3-13(19)8-9-7-10(15(16,17)18)5-6-11(9)20-14(13,4-2)12(21)22/h5-7,20H,3-4,8,19H2,1-2H3,(H,21,22)/t13-,14-/m0/s1
InChIKeyGKTHKZWTWJIEPU-KBPBESRZSA-N
XLogP3.01
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid
CID 117193423
2-ethyl-5-fluoro-1,3-dihydroindole-2-carboxylic acid
CID 117193321
3,3-difluoro-6-(trifluoromethyl)-2,4-dihydro-1H-quinoline
CID 22735233
7-methyl-4-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 68524778
1-methyl-5-(trifluoromethyl)-2,3-dihydroindene-1-carboxylic acid
CID 115045193
2-ethyl-2,3-dimethyl-7-(trifluoromethyl)-3,4-dihydro-1H-quinoline
CID 117193878
(3R)-3-amino-2-oxo-6-(trifluoromethyl)-1H-indole-3-carboxylic acid
CID 131872457
1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one
CID 84631097
1-[7-(trifluoromethyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propan-1-one
CID 156822992
6-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazine-2-carbaldehyde
CID 174698698
2-[4-(trifluoromethyl)phenyl]bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
CID 174158375
3,3-diethyl-7-(trifluoromethyl)-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115502358

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-2,3-diethyl-6-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylic acid?
The IUPAC name of (2R,3S)-3-amino-2,3-diethyl-6-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylic acid (CID 150306735) is (2R,3S)-3-amino-2,3-diethyl-6-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-amino-2,3-diethyl-6-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylic acid?
The canonical SMILES for (2R,3S)-3-amino-2,3-diethyl-6-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylic acid is CC[C@]1(N)Cc2cc(C(F)(F)F)ccc2N[C@@]1(CC)C(=O)O.
What is the InChIKey of (2R,3S)-3-amino-2,3-diethyl-6-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylic acid?
The InChIKey is GKTHKZWTWJIEPU-KBPBESRZSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-3-13(19)8-9-7-10(15(16,17)18)5-6-11(9)20-14(13,4-2)12(21)22/h5-7,20H,3-4,8,19H2,1-2H3,(H,21,22)/t13-,14-/m0/s1.
What are the key properties of (2R,3S)-3-amino-2,3-diethyl-6-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylic acid?
(2R,3S)-3-amino-2,3-diethyl-6-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylic acid has a molecular weight of 316.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-2,3-diethyl-6-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylic acid is sourced from PubChem (CID 150306735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).