2-oxo-4-phenyl-1-(piperidin-3-ylmethyl)quinoline-3-carbonitrile

C22H21N3O — CID 71568818

IUPAC2-oxo-4-phenyl-1-(piperidin-3-ylmethyl)quinoline-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c2ccccc2n(CC2CCCNC2)c1=O
InChIInChI=1S/C22H21N3O/c23-13-19-21(17-8-2-1-3-9-17)18-10-4-5-11-20(18)25(22(19)26)15-16-7-6-12-24-14-16/h1-5,8-11,16,24H,6-7,12,14-15H2
InChIKeyRKKNJNXBLNMIGI-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.54
Rot. Bonds3

About 2-oxo-4-phenyl-1-(piperidin-3-ylmethyl)quinoline-3-carbonitrile

2-oxo-4-phenyl-1-(piperidin-3-ylmethyl)quinoline-3-carbonitrile (PubChem CID 71568818) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-oxo-4-phenyl-1-(piperidin-3-ylmethyl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-phenyl-1-(piperidin-3-ylmethyl)quinoline-3-carbonitrile
PubChem CID71568818
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-oxo-4-phenyl-1-(piperidin-3-ylmethyl)quinoline-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c2ccccc2n(CC2CCCNC2)c1=O
InChIInChI=1S/C22H21N3O/c23-13-19-21(17-8-2-1-3-9-17)18-10-4-5-11-20(18)25(22(19)26)15-16-7-6-12-24-14-16/h1-5,8-11,16,24H,6-7,12,14-15H2
InChIKeyRKKNJNXBLNMIGI-UHFFFAOYSA-N
XLogP3.54
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-phenyl-1-(piperidin-3-ylmethyl)quinoline-3-carbonitrile?
The IUPAC name of 2-oxo-4-phenyl-1-(piperidin-3-ylmethyl)quinoline-3-carbonitrile (CID 71568818) is 2-oxo-4-phenyl-1-(piperidin-3-ylmethyl)quinoline-3-carbonitrile.
What is the SMILES notation for 2-oxo-4-phenyl-1-(piperidin-3-ylmethyl)quinoline-3-carbonitrile?
The canonical SMILES for 2-oxo-4-phenyl-1-(piperidin-3-ylmethyl)quinoline-3-carbonitrile is N#Cc1c(-c2ccccc2)c2ccccc2n(CC2CCCNC2)c1=O.
What is the InChIKey of 2-oxo-4-phenyl-1-(piperidin-3-ylmethyl)quinoline-3-carbonitrile?
The InChIKey is RKKNJNXBLNMIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c23-13-19-21(17-8-2-1-3-9-17)18-10-4-5-11-20(18)25(22(19)26)15-16-7-6-12-24-14-16/h1-5,8-11,16,24H,6-7,12,14-15H2.
What are the key properties of 2-oxo-4-phenyl-1-(piperidin-3-ylmethyl)quinoline-3-carbonitrile?
2-oxo-4-phenyl-1-(piperidin-3-ylmethyl)quinoline-3-carbonitrile has a molecular weight of 343.43 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-phenyl-1-(piperidin-3-ylmethyl)quinoline-3-carbonitrile is sourced from PubChem (CID 71568818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).