ethyl N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]carbamate

C17H26N2O2 — CID 16837165

IUPACethyl N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]carbamate
SMILESCCCN1CCCc2cc(CCNC(=O)OCC)ccc21
InChIInChI=1S/C17H26N2O2/c1-3-11-19-12-5-6-15-13-14(7-8-16(15)19)9-10-18-17(20)21-4-2/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,20)
InChIKeyKCCPZVFZNZIWSO-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.14
Rot. Bonds6

About ethyl N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]carbamate

ethyl N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]carbamate (PubChem CID 16837165) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is ethyl N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]carbamate
PubChem CID16837165
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nameethyl N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]carbamate
SMILESCCCN1CCCc2cc(CCNC(=O)OCC)ccc21
InChIInChI=1S/C17H26N2O2/c1-3-11-19-12-5-6-15-13-14(7-8-16(15)19)9-10-18-17(20)21-4-2/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,20)
InChIKeyKCCPZVFZNZIWSO-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]carbamate (CID 16837165) is ethyl N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]carbamate is CCCN1CCCc2cc(CCNC(=O)OCC)ccc21.
What is the InChIKey of ethyl N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]carbamate?
The InChIKey is KCCPZVFZNZIWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-11-19-12-5-6-15-13-14(7-8-16(15)19)9-10-18-17(20)21-4-2/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,20).
What are the key properties of ethyl N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]carbamate?
ethyl N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]carbamate has a molecular weight of 290.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]carbamate is sourced from PubChem (CID 16837165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).