6-ethoxy-2-[(3R)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile

C17H19N3O2 — CID 1454374

IUPAC6-ethoxy-2-[(3R)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile
SMILESCCOc1ccc2nc(N3CCC[C@@H](O)C3)c(C#N)cc2c1
InChIInChI=1S/C17H19N3O2/c1-2-22-15-5-6-16-12(9-15)8-13(10-18)17(19-16)20-7-3-4-14(21)11-20/h5-6,8-9,14,21H,2-4,7,11H2,1H3/t14-/m1/s1
InChIKeyUGBGNAJSCJAKDG-CQSZACIVSA-N
MW297.36 g/mol
LogP2.47
Rot. Bonds3

About 6-ethoxy-2-[(3R)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile

6-ethoxy-2-[(3R)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile (PubChem CID 1454374) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-ethoxy-2-[(3R)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-2-[(3R)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile
PubChem CID1454374
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name6-ethoxy-2-[(3R)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile
SMILESCCOc1ccc2nc(N3CCC[C@@H](O)C3)c(C#N)cc2c1
InChIInChI=1S/C17H19N3O2/c1-2-22-15-5-6-16-12(9-15)8-13(10-18)17(19-16)20-7-3-4-14(21)11-20/h5-6,8-9,14,21H,2-4,7,11H2,1H3/t14-/m1/s1
InChIKeyUGBGNAJSCJAKDG-CQSZACIVSA-N
XLogP2.47
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-6-methoxyquinoline-3-carbonitrile
CID 650445
6-ethoxy-2-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 1454377
1-(4-ethoxyphenyl)piperidin-3-ol
CID 117012789
2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile
CID 103896118
2-(3-hydroxypiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940480
cyclohexyl 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetate
CID 1156778
2-(3-hydroxypiperidin-1-yl)-4-methoxybenzonitrile
CID 81299499
5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
CID 76848480
2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methoxyquinoline-3-carbonitrile
CID 110354893
2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide
CID 865483
6-ethoxy-4-[5-(3-hydroxypiperidin-1-yl)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435679
methyl 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetate
CID 865487

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-[(3R)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 6-ethoxy-2-[(3R)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile (CID 1454374) is 6-ethoxy-2-[(3R)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-2-[(3R)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 6-ethoxy-2-[(3R)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile is CCOc1ccc2nc(N3CCC[C@@H](O)C3)c(C#N)cc2c1.
What is the InChIKey of 6-ethoxy-2-[(3R)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is UGBGNAJSCJAKDG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-22-15-5-6-16-12(9-15)8-13(10-18)17(19-16)20-7-3-4-14(21)11-20/h5-6,8-9,14,21H,2-4,7,11H2,1H3/t14-/m1/s1.
What are the key properties of 6-ethoxy-2-[(3R)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile?
6-ethoxy-2-[(3R)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 297.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-[(3R)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 1454374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).