2-(2H-quinolin-1-yl)ethyl formate

C12H13NO2 — CID 174470598

IUPAC2-(2H-quinolin-1-yl)ethyl formate
SMILESO=COCCN1CC=Cc2ccccc21
InChIInChI=1S/C12H13NO2/c14-10-15-9-8-13-7-3-5-11-4-1-2-6-12(11)13/h1-6,10H,7-9H2
InChIKeyBXSZVFGOKPYMIB-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.69
Rot. Bonds4

About 2-(2H-quinolin-1-yl)ethyl formate

2-(2H-quinolin-1-yl)ethyl formate (PubChem CID 174470598) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(2H-quinolin-1-yl)ethyl formate.

Molecular Properties

Compound Name2-(2H-quinolin-1-yl)ethyl formate
PubChem CID174470598
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(2H-quinolin-1-yl)ethyl formate
SMILESO=COCCN1CC=Cc2ccccc21
InChIInChI=1S/C12H13NO2/c14-10-15-9-8-13-7-3-5-11-4-1-2-6-12(11)13/h1-6,10H,7-9H2
InChIKeyBXSZVFGOKPYMIB-UHFFFAOYSA-N
XLogP1.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2H-quinolin-1-yl)propan-1-amine
CID 150712168
iridium;1-pentyl-2H-quinoline
CID 157228935
2-(1,2-benzodiazepin-1-yl)ethyl formate
CID 174289319
1-butyl-2H-quinoline;hexafluoroantimony(1-)
CID 175158891
2-(2H-quinolin-1-yl)acetic acid;sulfuric acid
CID 175129650
1-methyl-2H-quinoline;hydrate;dihydroiodide
CID 174675157
hexafluoroantimony(1-);1-phenyl-2-(2H-quinolin-1-yl)ethanone
CID 175158866
2-hydroxyethyl 2H-quinoline-1-carboxylate
CID 139922585
2H-quinolin-1-amine;dihydrochloride
CID 141446111
1-[(3-decoxyphenyl)methyl]-2H-quinoline
CID 141407473
butyl 2H-quinoline-1-carboxylate
CID 68759380
2-ethoxyethyl 2H-quinoline-1-carboxylate
CID 18677055

Frequently Asked Questions

What is the IUPAC name of 2-(2H-quinolin-1-yl)ethyl formate?
The IUPAC name of 2-(2H-quinolin-1-yl)ethyl formate (CID 174470598) is 2-(2H-quinolin-1-yl)ethyl formate.
What is the SMILES notation for 2-(2H-quinolin-1-yl)ethyl formate?
The canonical SMILES for 2-(2H-quinolin-1-yl)ethyl formate is O=COCCN1CC=Cc2ccccc21.
What is the InChIKey of 2-(2H-quinolin-1-yl)ethyl formate?
The InChIKey is BXSZVFGOKPYMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-10-15-9-8-13-7-3-5-11-4-1-2-6-12(11)13/h1-6,10H,7-9H2.
What are the key properties of 2-(2H-quinolin-1-yl)ethyl formate?
2-(2H-quinolin-1-yl)ethyl formate has a molecular weight of 203.24 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-quinolin-1-yl)ethyl formate is sourced from PubChem (CID 174470598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).