2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile

C18H21N3O — CID 155125423

IUPAC2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile
SMILESCOc1ccc2c(N3CCC(C(C)C#N)CC3)ccnc2c1
InChIInChI=1S/C18H21N3O/c1-13(12-19)14-6-9-21(10-7-14)18-5-8-20-17-11-15(22-2)3-4-16(17)18/h3-5,8,11,13-14H,6-7,9-10H2,1-2H3
InChIKeyOYAHYBKLEVEESQ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.62
Rot. Bonds3

About 2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile

2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile (PubChem CID 155125423) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile.

Molecular Properties

Compound Name2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile
PubChem CID155125423
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile
SMILESCOc1ccc2c(N3CCC(C(C)C#N)CC3)ccnc2c1
InChIInChI=1S/C18H21N3O/c1-13(12-19)14-6-9-21(10-7-14)18-5-8-20-17-11-15(22-2)3-4-16(17)18/h3-5,8,11,13-14H,6-7,9-10H2,1-2H3
InChIKeyOYAHYBKLEVEESQ-UHFFFAOYSA-N
XLogP3.62
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile?
The IUPAC name of 2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile (CID 155125423) is 2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile.
What is the SMILES notation for 2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile?
The canonical SMILES for 2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile is COc1ccc2c(N3CCC(C(C)C#N)CC3)ccnc2c1.
What is the InChIKey of 2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile?
The InChIKey is OYAHYBKLEVEESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13(12-19)14-6-9-21(10-7-14)18-5-8-20-17-11-15(22-2)3-4-16(17)18/h3-5,8,11,13-14H,6-7,9-10H2,1-2H3.
What are the key properties of 2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile?
2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile has a molecular weight of 295.39 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile is sourced from PubChem (CID 155125423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).