ethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate

C12H16N2O2 — CID 19697803

IUPACethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate
SMILESCCOC(=O)NC1CNc2ccccc2C1
InChIInChI=1S/C12H16N2O2/c1-2-16-12(15)14-10-7-9-5-3-4-6-11(9)13-8-10/h3-6,10,13H,2,7-8H2,1H3,(H,14,15)
InChIKeyPXGBOYTWPMJQNL-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.77
Rot. Bonds2

About ethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate

ethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate (PubChem CID 19697803) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate
PubChem CID19697803
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nameethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate
SMILESCCOC(=O)NC1CNc2ccccc2C1
InChIInChI=1S/C12H16N2O2/c1-2-16-12(15)14-10-7-9-5-3-4-6-11(9)13-8-10/h3-6,10,13H,2,7-8H2,1H3,(H,14,15)
InChIKeyPXGBOYTWPMJQNL-UHFFFAOYSA-N
XLogP1.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate?
The IUPAC name of ethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate (CID 19697803) is ethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate.
What is the SMILES notation for ethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate?
The canonical SMILES for ethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate is CCOC(=O)NC1CNc2ccccc2C1.
What is the InChIKey of ethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate?
The InChIKey is PXGBOYTWPMJQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-16-12(15)14-10-7-9-5-3-4-6-11(9)13-8-10/h3-6,10,13H,2,7-8H2,1H3,(H,14,15).
What are the key properties of ethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate?
ethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate has a molecular weight of 220.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate is sourced from PubChem (CID 19697803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).