4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile

C19H21N3 — CID 166333218

IUPAC4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile
SMILESN#Cc1cc(N2CCCC(C3CCC3)C2)c2ccccc2n1
InChIInChI=1S/C19H21N3/c20-12-16-11-19(17-8-1-2-9-18(17)21-16)22-10-4-7-15(13-22)14-5-3-6-14/h1-2,8-9,11,14-15H,3-7,10,13H2
InChIKeyFKDRWZCJPHXDLP-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.12
Rot. Bonds2

About 4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile

4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile (PubChem CID 166333218) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile
PubChem CID166333218
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile
SMILESN#Cc1cc(N2CCCC(C3CCC3)C2)c2ccccc2n1
InChIInChI=1S/C19H21N3/c20-12-16-11-19(17-8-1-2-9-18(17)21-16)22-10-4-7-15(13-22)14-5-3-6-14/h1-2,8-9,11,14-15H,3-7,10,13H2
InChIKeyFKDRWZCJPHXDLP-UHFFFAOYSA-N
XLogP4.12
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)quinoline-2-carbonitrile
CID 133322880
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)quinoline-2-carbonitrile
CID 133354502
4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile
CID 133448513
4-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]quinoline-2-carbonitrile
CID 133334912
4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline-2-carbonitrile
CID 133446182
4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile
CID 97218063
4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]quinoline-2-carbonitrile
CID 133306230
4-[(3R)-3-methylpiperidin-1-yl]-2-pyrrolidin-1-ylquinoline
CID 124896109
4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile
CID 133395785
4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinoline-2-carbonitrile
CID 133310521
4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-carbonitrile
CID 133379557
4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile
CID 133317978

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile?
The IUPAC name of 4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile (CID 166333218) is 4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile.
What is the SMILES notation for 4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile?
The canonical SMILES for 4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile is N#Cc1cc(N2CCCC(C3CCC3)C2)c2ccccc2n1.
What is the InChIKey of 4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile?
The InChIKey is FKDRWZCJPHXDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c20-12-16-11-19(17-8-1-2-9-18(17)21-16)22-10-4-7-15(13-22)14-5-3-6-14/h1-2,8-9,11,14-15H,3-7,10,13H2.
What are the key properties of 4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile?
4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile has a molecular weight of 291.40 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile is sourced from PubChem (CID 166333218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).