propan-2-yl 2-amino-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate

C14H17F3N2O2 — CID 143173752

IUPACpropan-2-yl 2-amino-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)OC(=O)N1c2ccc(C(F)(F)F)cc2CCC1N
InChIInChI=1S/C14H17F3N2O2/c1-8(2)21-13(20)19-11-5-4-10(14(15,16)17)7-9(11)3-6-12(19)18/h4-5,7-8,12H,3,6,18H2,1-2H3
InChIKeyGWSBSIMITMRCSX-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.29
Rot. Bonds1

About propan-2-yl 2-amino-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate

propan-2-yl 2-amino-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 143173752) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is propan-2-yl 2-amino-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID143173752
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Namepropan-2-yl 2-amino-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)OC(=O)N1c2ccc(C(F)(F)F)cc2CCC1N
InChIInChI=1S/C14H17F3N2O2/c1-8(2)21-13(20)19-11-5-4-10(14(15,16)17)7-9(11)3-6-12(19)18/h4-5,7-8,12H,3,6,18H2,1-2H3
InChIKeyGWSBSIMITMRCSX-UHFFFAOYSA-N
XLogP3.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 2-amino-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 141019708
propan-2-yl 4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 143173742
2-(2,2,2-trideuterioethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 159934935
6-[2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]oxyhexanoic acid
CID 141123917
tert-butyl 2-amino-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1-carboxylate
CID 154450579
propan-2-yl (2S,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-cyanoamino]-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 87782137
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
tert-butyl (2S)-2-(hydroxymethyl)-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxylate
CID 175968709
propan-2-yl (2S,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2,2,2-trifluoroacetyl)amino]-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 54188389
propan-2-yl (4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 143173766
propan-2-yl (2S,4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 131723997
propan-2-yl (2S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-2-oxoethyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 149092039

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of propan-2-yl 2-amino-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate (CID 143173752) is propan-2-yl 2-amino-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for propan-2-yl 2-amino-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for propan-2-yl 2-amino-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate is CC(C)OC(=O)N1c2ccc(C(F)(F)F)cc2CCC1N.
What is the InChIKey of propan-2-yl 2-amino-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is GWSBSIMITMRCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-8(2)21-13(20)19-11-5-4-10(14(15,16)17)7-9(11)3-6-12(19)18/h4-5,7-8,12H,3,6,18H2,1-2H3.
What are the key properties of propan-2-yl 2-amino-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate?
propan-2-yl 2-amino-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 302.30 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 143173752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).