tert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate

C17H22N2O2 — CID 142472999

IUPACtert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate
SMILESCc1cc2ncccc2cc1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H22N2O2/c1-12-10-15-14(6-5-8-18-15)11-13(12)7-9-19-16(20)21-17(2,3)4/h5-6,8,10-11H,7,9H2,1-4H3,(H,19,20)
InChIKeyREENGJZZAXAEFP-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.61
Rot. Bonds3

About tert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate

tert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate (PubChem CID 142472999) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is tert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate
PubChem CID142472999
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Nametert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate
SMILESCc1cc2ncccc2cc1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H22N2O2/c1-12-10-15-14(6-5-8-18-15)11-13(12)7-9-19-16(20)21-17(2,3)4/h5-6,8,10-11H,7,9H2,1-4H3,(H,19,20)
InChIKeyREENGJZZAXAEFP-UHFFFAOYSA-N
XLogP3.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinolin-6-yl]boronic acid
CID 150878167
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
tert-butyl N-[2-(3-bromonaphthalen-2-yl)ethyl]carbamate
CID 142472839
6-chloro-N-[2-(7-methylquinolin-6-yl)ethyl]pyrimidin-4-amine
CID 135381034
tert-butyl N-(3-quinolin-6-ylprop-2-ynyl)carbamate
CID 11687791
tert-butyl N-(quinoline-6-carbonylamino)carbamate
CID 155213246
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
CID 57366772
tert-butyl N-[2-(5,10-dioxopyrido[3,2-g]quinolin-6-yl)ethyl]carbamate
CID 10937100
tert-butyl N-[2-(3-methyl-1,4-dioxonaphthalen-2-yl)ethyl]carbamate
CID 10852825
tert-butyl N-[2-[2-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 141182923
tert-butyl N-(acridin-4-ylmethyl)carbamate
CID 154037573

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate (CID 142472999) is tert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate is Cc1cc2ncccc2cc1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate?
The InChIKey is REENGJZZAXAEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-10-15-14(6-5-8-18-15)11-13(12)7-9-19-16(20)21-17(2,3)4/h5-6,8,10-11H,7,9H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate?
tert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate has a molecular weight of 286.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate is sourced from PubChem (CID 142472999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).