2-(2-cyclobutylethoxy)quinoline-3-carbonitrile

C16H16N2O — CID 106201549

IUPAC2-(2-cyclobutylethoxy)quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1OCCC1CCC1
InChIInChI=1S/C16H16N2O/c17-11-14-10-13-6-1-2-7-15(13)18-16(14)19-9-8-12-4-3-5-12/h1-2,6-7,10,12H,3-5,8-9H2
InChIKeyRDRGSOXDJZZPOK-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.68
Rot. Bonds4

About 2-(2-cyclobutylethoxy)quinoline-3-carbonitrile

2-(2-cyclobutylethoxy)quinoline-3-carbonitrile (PubChem CID 106201549) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)quinoline-3-carbonitrile
PubChem CID106201549
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-(2-cyclobutylethoxy)quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1OCCC1CCC1
InChIInChI=1S/C16H16N2O/c17-11-14-10-13-6-1-2-7-15(13)18-16(14)19-9-8-12-4-3-5-12/h1-2,6-7,10,12H,3-5,8-9H2
InChIKeyRDRGSOXDJZZPOK-UHFFFAOYSA-N
XLogP3.68
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pent-4-enoxyquinoline-3-carbonitrile
CID 79113922
2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carbonitrile
CID 130247545
[2-(2-cyclopropylethoxy)quinolin-3-yl]methanamine
CID 106199465
2-aminooxyquinoline-3-carbonitrile
CID 79428032
2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide
CID 106201905
2-(2-cyclopropylethoxy)quinoline-3-carboximidamide
CID 106202032
2-(3,4-dimethylcyclohexyl)oxyquinoline-3-carbonitrile
CID 64746139
2-(2-cyclobutylethoxy)-5-fluorobenzonitrile
CID 106201555
2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile
CID 64911454
2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile
CID 106201384
2-(2-piperidin-3-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 62355816
2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile
CID 102862336

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)quinoline-3-carbonitrile?
The IUPAC name of 2-(2-cyclobutylethoxy)quinoline-3-carbonitrile (CID 106201549) is 2-(2-cyclobutylethoxy)quinoline-3-carbonitrile.
What is the SMILES notation for 2-(2-cyclobutylethoxy)quinoline-3-carbonitrile?
The canonical SMILES for 2-(2-cyclobutylethoxy)quinoline-3-carbonitrile is N#Cc1cc2ccccc2nc1OCCC1CCC1.
What is the InChIKey of 2-(2-cyclobutylethoxy)quinoline-3-carbonitrile?
The InChIKey is RDRGSOXDJZZPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-11-14-10-13-6-1-2-7-15(13)18-16(14)19-9-8-12-4-3-5-12/h1-2,6-7,10,12H,3-5,8-9H2.
What are the key properties of 2-(2-cyclobutylethoxy)quinoline-3-carbonitrile?
2-(2-cyclobutylethoxy)quinoline-3-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)quinoline-3-carbonitrile is sourced from PubChem (CID 106201549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).