4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile

C18H21N3O2 — CID 133448513

IUPAC4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile
SMILESCOCCOC1CCN(c2cc(C#N)nc3ccccc23)CC1
InChIInChI=1S/C18H21N3O2/c1-22-10-11-23-15-6-8-21(9-7-15)18-12-14(13-19)20-17-5-3-2-4-16(17)18/h2-5,12,15H,6-11H2,1H3
InChIKeyQVNLQOUYLMMVMP-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.74
Rot. Bonds5

About 4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile

4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile (PubChem CID 133448513) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile
PubChem CID133448513
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile
SMILESCOCCOC1CCN(c2cc(C#N)nc3ccccc23)CC1
InChIInChI=1S/C18H21N3O2/c1-22-10-11-23-15-6-8-21(9-7-15)18-12-14(13-19)20-17-5-3-2-4-16(17)18/h2-5,12,15H,6-11H2,1H3
InChIKeyQVNLQOUYLMMVMP-UHFFFAOYSA-N
XLogP2.74
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.74
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

4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile
CID 133317978
4-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]quinoline-2-carbonitrile
CID 133387064
4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile
CID 97218063
4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile
CID 166333218
4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile
CID 133395785
2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile
CID 127386584
2-[4-(2-cyanoquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 133316675
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)quinoline-2-carbonitrile
CID 133322880
4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline
CID 69288784
4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline-2-carbonitrile
CID 133446182
4-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]quinoline-2-carbonitrile
CID 133334912
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)quinoline-2-carbonitrile
CID 133354502

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile?
The IUPAC name of 4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile (CID 133448513) is 4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile.
What is the SMILES notation for 4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile?
The canonical SMILES for 4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile is COCCOC1CCN(c2cc(C#N)nc3ccccc23)CC1.
What is the InChIKey of 4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile?
The InChIKey is QVNLQOUYLMMVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-22-10-11-23-15-6-8-21(9-7-15)18-12-14(13-19)20-17-5-3-2-4-16(17)18/h2-5,12,15H,6-11H2,1H3.
What are the key properties of 4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile?
4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile has a molecular weight of 311.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile is sourced from PubChem (CID 133448513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).