methyl N-(2-quinolin-8-ylethyl)carbamate

C13H14N2O2 — CID 115577084

IUPACmethyl N-(2-quinolin-8-ylethyl)carbamate
SMILESCOC(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C13H14N2O2/c1-17-13(16)15-9-7-11-5-2-4-10-6-3-8-14-12(10)11/h2-6,8H,7,9H2,1H3,(H,15,16)
InChIKeyGKWNCHDXODFHKA-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.13
Rot. Bonds3

About methyl N-(2-quinolin-8-ylethyl)carbamate

methyl N-(2-quinolin-8-ylethyl)carbamate (PubChem CID 115577084) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is methyl N-(2-quinolin-8-ylethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-quinolin-8-ylethyl)carbamate
PubChem CID115577084
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namemethyl N-(2-quinolin-8-ylethyl)carbamate
SMILESCOC(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C13H14N2O2/c1-17-13(16)15-9-7-11-5-2-4-10-6-3-8-14-12(10)11/h2-6,8H,7,9H2,1H3,(H,15,16)
InChIKeyGKWNCHDXODFHKA-UHFFFAOYSA-N
XLogP2.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251
2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149265
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
2-(4-methylphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 36644007
2-(4-ethoxyphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149201
3-chloro-N-(2-quinolin-8-ylethyl)propanamide
CID 81427870
4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427876
3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide
CID 81426799

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-quinolin-8-ylethyl)carbamate?
The IUPAC name of methyl N-(2-quinolin-8-ylethyl)carbamate (CID 115577084) is methyl N-(2-quinolin-8-ylethyl)carbamate.
What is the SMILES notation for methyl N-(2-quinolin-8-ylethyl)carbamate?
The canonical SMILES for methyl N-(2-quinolin-8-ylethyl)carbamate is COC(=O)NCCc1cccc2cccnc12.
What is the InChIKey of methyl N-(2-quinolin-8-ylethyl)carbamate?
The InChIKey is GKWNCHDXODFHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-13(16)15-9-7-11-5-2-4-10-6-3-8-14-12(10)11/h2-6,8H,7,9H2,1H3,(H,15,16).
What are the key properties of methyl N-(2-quinolin-8-ylethyl)carbamate?
methyl N-(2-quinolin-8-ylethyl)carbamate has a molecular weight of 230.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-quinolin-8-ylethyl)carbamate is sourced from PubChem (CID 115577084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).