tert-butyl N-[2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl]carbamate

C17H19F3N2O3 — CID 142503862

IUPACtert-butyl N-[2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C17H19F3N2O3/c1-16(2,3)25-15(23)22-8-9-24-14-6-7-21-13-10-11(17(18,19)20)4-5-12(13)14/h4-7,10H,8-9H2,1-3H3,(H,22,23)
InChIKeyAGWBKHKHXPWDAG-UHFFFAOYSA-N
MW356.34 g/mol
LogP4.16
Rot. Bonds4

About tert-butyl N-[2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl]carbamate

tert-butyl N-[2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl]carbamate (PubChem CID 142503862) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is tert-butyl N-[2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl]carbamate
PubChem CID142503862
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Nametert-butyl N-[2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C17H19F3N2O3/c1-16(2,3)25-15(23)22-8-9-24-14-6-7-21-13-10-11(17(18,19)20)4-5-12(13)14/h4-7,10H,8-9H2,1-3H3,(H,22,23)
InChIKeyAGWBKHKHXPWDAG-UHFFFAOYSA-N
XLogP4.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[2-nitro-4-(trifluoromethyl)phenoxy]ethyl]carbamate
CID 59520387
tert-butyl 2-[[7-(trifluoromethyl)quinoline-4-carbonyl]amino]acetate
CID 170539767
[1-amino-2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl] 2,2,2-trifluoroacetate
CID 137368021
2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide
CID 133402575
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]terephthalic acid
CID 122438342
tert-butyl N-[3-[4-(4-amino-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]carbamate
CID 66611559
N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide
CID 86802912
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
tert-butyl N-[2-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenoxy]ethyl]carbamate
CID 170106812
tert-butyl N-[2-(5-bromo-2-fluorophenoxy)ethyl]carbamate
CID 138986153
tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane
CID 142077539
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl]carbamate (CID 142503862) is tert-butyl N-[2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl]carbamate is CC(C)(C)OC(=O)NCCOc1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of tert-butyl N-[2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl]carbamate?
The InChIKey is AGWBKHKHXPWDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c1-16(2,3)25-15(23)22-8-9-24-14-6-7-21-13-10-11(17(18,19)20)4-5-12(13)14/h4-7,10H,8-9H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl N-[2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl]carbamate?
tert-butyl N-[2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl]carbamate has a molecular weight of 356.34 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl]carbamate is sourced from PubChem (CID 142503862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).