tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate

C16H24N2O2 — CID 112757446

IUPACtert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCCc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-10-12-18-11-6-8-13-7-4-5-9-14(13)18/h4-5,7,9H,6,8,10-12H2,1-3H3,(H,17,19)
InChIKeyLKBOYHKHCHQRDC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.96
Rot. Bonds3

About tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate

tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate (PubChem CID 112757446) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
PubChem CID112757446
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCCc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-10-12-18-11-6-8-13-7-4-5-9-14(13)18/h4-5,7,9H,6,8,10-12H2,1-3H3,(H,17,19)
InChIKeyLKBOYHKHCHQRDC-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate (CID 112757446) is tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CCCc2ccccc21.
What is the InChIKey of tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate?
The InChIKey is LKBOYHKHCHQRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-10-12-18-11-6-8-13-7-4-5-9-14(13)18/h4-5,7,9H,6,8,10-12H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate?
tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate has a molecular weight of 276.38 g/mol, XLogP of 2.96, 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-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate is sourced from PubChem (CID 112757446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).