propyl N-quinolin-2-yl-N-(trifluoromethyl)carbamate

C14H13F3N2O2 — CID 70461876

IUPACpropyl N-quinolin-2-yl-N-(trifluoromethyl)carbamate
SMILESCCCOC(=O)N(c1ccc2ccccc2n1)C(F)(F)F
InChIInChI=1S/C14H13F3N2O2/c1-2-9-21-13(20)19(14(15,16)17)12-8-7-10-5-3-4-6-11(10)18-12/h3-8H,2,9H2,1H3
InChIKeyTZVRKGPILVGPJX-UHFFFAOYSA-N
MW298.26 g/mol
LogP4.11
Rot. Bonds3

About propyl N-quinolin-2-yl-N-(trifluoromethyl)carbamate

propyl N-quinolin-2-yl-N-(trifluoromethyl)carbamate (PubChem CID 70461876) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is propyl N-quinolin-2-yl-N-(trifluoromethyl)carbamate.

Molecular Properties

Compound Namepropyl N-quinolin-2-yl-N-(trifluoromethyl)carbamate
PubChem CID70461876
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Namepropyl N-quinolin-2-yl-N-(trifluoromethyl)carbamate
SMILESCCCOC(=O)N(c1ccc2ccccc2n1)C(F)(F)F
InChIInChI=1S/C14H13F3N2O2/c1-2-9-21-13(20)19(14(15,16)17)12-8-7-10-5-3-4-6-11(10)18-12/h3-8H,2,9H2,1H3
InChIKeyTZVRKGPILVGPJX-UHFFFAOYSA-N
XLogP4.11
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl N-quinolin-2-yl-N-(trifluoromethyl)carbamate?
The IUPAC name of propyl N-quinolin-2-yl-N-(trifluoromethyl)carbamate (CID 70461876) is propyl N-quinolin-2-yl-N-(trifluoromethyl)carbamate.
What is the SMILES notation for propyl N-quinolin-2-yl-N-(trifluoromethyl)carbamate?
The canonical SMILES for propyl N-quinolin-2-yl-N-(trifluoromethyl)carbamate is CCCOC(=O)N(c1ccc2ccccc2n1)C(F)(F)F.
What is the InChIKey of propyl N-quinolin-2-yl-N-(trifluoromethyl)carbamate?
The InChIKey is TZVRKGPILVGPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-2-9-21-13(20)19(14(15,16)17)12-8-7-10-5-3-4-6-11(10)18-12/h3-8H,2,9H2,1H3.
What are the key properties of propyl N-quinolin-2-yl-N-(trifluoromethyl)carbamate?
propyl N-quinolin-2-yl-N-(trifluoromethyl)carbamate has a molecular weight of 298.26 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-quinolin-2-yl-N-(trifluoromethyl)carbamate is sourced from PubChem (CID 70461876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).