propyl N-[8-(trifluoromethyl)quinolin-2-yl]carbamate

C14H13F3N2O2 — CID 70353289

IUPACpropyl N-[8-(trifluoromethyl)quinolin-2-yl]carbamate
SMILESCCCOC(=O)Nc1ccc2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C14H13F3N2O2/c1-2-8-21-13(20)19-11-7-6-9-4-3-5-10(12(9)18-11)14(15,16)17/h3-7H,2,8H2,1H3,(H,18,19,20)
InChIKeyZWVRWGSQJJXYQW-UHFFFAOYSA-N
MW298.26 g/mol
LogP4.21
Rot. Bonds3

About propyl N-[8-(trifluoromethyl)quinolin-2-yl]carbamate

propyl N-[8-(trifluoromethyl)quinolin-2-yl]carbamate (PubChem CID 70353289) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is propyl N-[8-(trifluoromethyl)quinolin-2-yl]carbamate.

Molecular Properties

Compound Namepropyl N-[8-(trifluoromethyl)quinolin-2-yl]carbamate
PubChem CID70353289
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Namepropyl N-[8-(trifluoromethyl)quinolin-2-yl]carbamate
SMILESCCCOC(=O)Nc1ccc2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C14H13F3N2O2/c1-2-8-21-13(20)19-11-7-6-9-4-3-5-10(12(9)18-11)14(15,16)17/h3-7H,2,8H2,1H3,(H,18,19,20)
InChIKeyZWVRWGSQJJXYQW-UHFFFAOYSA-N
XLogP4.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl N-[8-(trifluoromethyl)quinolin-2-yl]carbamate?
The IUPAC name of propyl N-[8-(trifluoromethyl)quinolin-2-yl]carbamate (CID 70353289) is propyl N-[8-(trifluoromethyl)quinolin-2-yl]carbamate.
What is the SMILES notation for propyl N-[8-(trifluoromethyl)quinolin-2-yl]carbamate?
The canonical SMILES for propyl N-[8-(trifluoromethyl)quinolin-2-yl]carbamate is CCCOC(=O)Nc1ccc2cccc(C(F)(F)F)c2n1.
What is the InChIKey of propyl N-[8-(trifluoromethyl)quinolin-2-yl]carbamate?
The InChIKey is ZWVRWGSQJJXYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-2-8-21-13(20)19-11-7-6-9-4-3-5-10(12(9)18-11)14(15,16)17/h3-7H,2,8H2,1H3,(H,18,19,20).
What are the key properties of propyl N-[8-(trifluoromethyl)quinolin-2-yl]carbamate?
propyl N-[8-(trifluoromethyl)quinolin-2-yl]carbamate has a molecular weight of 298.26 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[8-(trifluoromethyl)quinolin-2-yl]carbamate is sourced from PubChem (CID 70353289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).