methyl N-[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate

C14H17F3N2O2 — CID 21350833

IUPACmethyl N-[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate
SMILESCCC1CC(NC(=O)OC)c2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C14H17F3N2O2/c1-3-9-7-12(19-13(20)21-2)10-6-8(14(15,16)17)4-5-11(10)18-9/h4-6,9,12,18H,3,7H2,1-2H3,(H,19,20)
InChIKeyDNQYOPWDVYBERX-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.70
Rot. Bonds2

About methyl N-[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate

methyl N-[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate (PubChem CID 21350833) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is methyl N-[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate
PubChem CID21350833
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Namemethyl N-[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate
SMILESCCC1CC(NC(=O)OC)c2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C14H17F3N2O2/c1-3-9-7-12(19-13(20)21-2)10-6-8(14(15,16)17)4-5-11(10)18-9/h4-6,9,12,18H,3,7H2,1-2H3,(H,19,20)
InChIKeyDNQYOPWDVYBERX-UHFFFAOYSA-N
XLogP3.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl N-[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate with MolForge

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Related Compounds

Torcetrapib
CID 159325
CP-532623
CID 10145345
Propan-2-Yl N-[(2s,4r)-1-Ethanoyl-2-Methyl-6-[4-(Methylaminomethyl)phenyl]-3,4-Dihydro-2h-Quinolin-4-Yl]carbamate
CID 52912223
8-ethyl-4-(trifluoromethyl)-1H,2H,6H,7H,8H,9H-pyrido[3,2-g]quinolin-2-one
CID 23648042
ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 9851652
ethyl (2R,4S)-4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 10031215
Ethyl 4-[(4-methylphenyl)amino]-1-piperidinecarboxylate
CID 867182
Boc-3-amino-1,2,3,4-tetrahydroquinoline
CID 4460996
6-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 12647571
(7S,8R)-7,8-Diethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
CID 10448918
(7S,8R)-7-Ethyl-8-methyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
CID 10470625
(7R,8R)-7,8-Diethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
CID 15517884

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate?
The IUPAC name of methyl N-[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate (CID 21350833) is methyl N-[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate.
What is the SMILES notation for methyl N-[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate?
The canonical SMILES for methyl N-[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate is CCC1CC(NC(=O)OC)c2cc(C(F)(F)F)ccc2N1.
What is the InChIKey of methyl N-[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate?
The InChIKey is DNQYOPWDVYBERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-3-9-7-12(19-13(20)21-2)10-6-8(14(15,16)17)4-5-11(10)18-9/h4-6,9,12,18H,3,7H2,1-2H3,(H,19,20).
What are the key properties of methyl N-[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate?
methyl N-[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate has a molecular weight of 302.30 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate is sourced from PubChem (CID 21350833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).