tert-butyl N-[3-(2-cyanoquinolin-6-yl)oxypropyl]-N-methylcarbamate

C19H23N3O3 — CID 58797775

IUPACtert-butyl N-[3-(2-cyanoquinolin-6-yl)oxypropyl]-N-methylcarbamate
SMILESCN(CCCOc1ccc2nc(C#N)ccc2c1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H23N3O3/c1-19(2,3)25-18(23)22(4)10-5-11-24-16-8-9-17-14(12-16)6-7-15(13-20)21-17/h6-9,12H,5,10-11H2,1-4H3
InChIKeyDBOIPAUPAAHKRG-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.74
Rot. Bonds5

About tert-butyl N-[3-(2-cyanoquinolin-6-yl)oxypropyl]-N-methylcarbamate

tert-butyl N-[3-(2-cyanoquinolin-6-yl)oxypropyl]-N-methylcarbamate (PubChem CID 58797775) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is tert-butyl N-[3-(2-cyanoquinolin-6-yl)oxypropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-cyanoquinolin-6-yl)oxypropyl]-N-methylcarbamate
PubChem CID58797775
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nametert-butyl N-[3-(2-cyanoquinolin-6-yl)oxypropyl]-N-methylcarbamate
SMILESCN(CCCOc1ccc2nc(C#N)ccc2c1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H23N3O3/c1-19(2,3)25-18(23)22(4)10-5-11-24-16-8-9-17-14(12-16)6-7-15(13-20)21-17/h6-9,12H,5,10-11H2,1-4H3
InChIKeyDBOIPAUPAAHKRG-UHFFFAOYSA-N
XLogP3.74
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]benzoic acid
CID 166174882
tert-butyl N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylcarbamate
CID 86781803
tert-butyl N-[2-[(6-cyano-2-pyridinyl)-methylamino]ethyl]-N-methylcarbamate
CID 86814417
tert-butyl N-[3-(4-formylphenoxy)propyl]-N-methylcarbamate
CID 157022008
tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate
CID 146282121
tert-butyl N-[2-(4-bromo-3-fluorophenoxy)ethyl]-N-methylcarbamate
CID 139317833
tert-butyl N-[2-[4-(chloromethyl)phenoxy]ethyl]-N-methylcarbamate
CID 58870313
tert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate
CID 58790256
tert-butyl N-[4-(4-methoxyphenyl)-4-oxobutyl]-N-methylcarbamate
CID 138972967
tert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate
CID 156619972
tert-butyl N-[2-[4-(7-ethoxy-4-methylquinolin-2-yl)phenoxy]ethyl]-N-methylcarbamate
CID 177173321
tert-butyl N-[3-[(2-cyano-1,3-benzothiazol-6-yl)oxy]propyl]carbamate
CID 58797688

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-cyanoquinolin-6-yl)oxypropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-(2-cyanoquinolin-6-yl)oxypropyl]-N-methylcarbamate (CID 58797775) is tert-butyl N-[3-(2-cyanoquinolin-6-yl)oxypropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(2-cyanoquinolin-6-yl)oxypropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-(2-cyanoquinolin-6-yl)oxypropyl]-N-methylcarbamate is CN(CCCOc1ccc2nc(C#N)ccc2c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(2-cyanoquinolin-6-yl)oxypropyl]-N-methylcarbamate?
The InChIKey is DBOIPAUPAAHKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(2,3)25-18(23)22(4)10-5-11-24-16-8-9-17-14(12-16)6-7-15(13-20)21-17/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of tert-butyl N-[3-(2-cyanoquinolin-6-yl)oxypropyl]-N-methylcarbamate?
tert-butyl N-[3-(2-cyanoquinolin-6-yl)oxypropyl]-N-methylcarbamate has a molecular weight of 341.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-cyanoquinolin-6-yl)oxypropyl]-N-methylcarbamate is sourced from PubChem (CID 58797775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).