ethyl N-quinolin-2-ylcarbamate

C12H12N2O2 — CID 3829801

IUPACethyl N-quinolin-2-ylcarbamate
SMILESCCOC(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C12H12N2O2/c1-2-16-12(15)14-11-8-7-9-5-3-4-6-10(9)13-11/h3-8H,2H2,1H3,(H,13,14,15)
InChIKeyYOKSDRRXVHJTJX-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.80
Rot. Bonds2

About ethyl N-quinolin-2-ylcarbamate

ethyl N-quinolin-2-ylcarbamate (PubChem CID 3829801) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl N-quinolin-2-ylcarbamate.

Molecular Properties

Compound Nameethyl N-quinolin-2-ylcarbamate
PubChem CID3829801
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Nameethyl N-quinolin-2-ylcarbamate
SMILESCCOC(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C12H12N2O2/c1-2-16-12(15)14-11-8-7-9-5-3-4-6-10(9)13-11/h3-8H,2H2,1H3,(H,13,14,15)
InChIKeyYOKSDRRXVHJTJX-UHFFFAOYSA-N
XLogP2.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-quinolin-2-ylcarbamate?
The IUPAC name of ethyl N-quinolin-2-ylcarbamate (CID 3829801) is ethyl N-quinolin-2-ylcarbamate.
What is the SMILES notation for ethyl N-quinolin-2-ylcarbamate?
The canonical SMILES for ethyl N-quinolin-2-ylcarbamate is CCOC(=O)Nc1ccc2ccccc2n1.
What is the InChIKey of ethyl N-quinolin-2-ylcarbamate?
The InChIKey is YOKSDRRXVHJTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-16-12(15)14-11-8-7-9-5-3-4-6-10(9)13-11/h3-8H,2H2,1H3,(H,13,14,15).
What are the key properties of ethyl N-quinolin-2-ylcarbamate?
ethyl N-quinolin-2-ylcarbamate has a molecular weight of 216.24 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-quinolin-2-ylcarbamate is sourced from PubChem (CID 3829801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).