8-methyl-2-(4-oxopiperidin-1-yl)quinoline-3-carbonitrile

C16H15N3O — CID 82233252

IUPAC8-methyl-2-(4-oxopiperidin-1-yl)quinoline-3-carbonitrile
SMILESCc1cccc2cc(C#N)c(N3CCC(=O)CC3)nc12
InChIInChI=1S/C16H15N3O/c1-11-3-2-4-12-9-13(10-17)16(18-15(11)12)19-7-5-14(20)6-8-19/h2-4,9H,5-8H2,1H3
InChIKeyYEJNJTXPSUEPFD-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.58
Rot. Bonds1

About 8-methyl-2-(4-oxopiperidin-1-yl)quinoline-3-carbonitrile

8-methyl-2-(4-oxopiperidin-1-yl)quinoline-3-carbonitrile (PubChem CID 82233252) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 8-methyl-2-(4-oxopiperidin-1-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name8-methyl-2-(4-oxopiperidin-1-yl)quinoline-3-carbonitrile
PubChem CID82233252
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name8-methyl-2-(4-oxopiperidin-1-yl)quinoline-3-carbonitrile
SMILESCc1cccc2cc(C#N)c(N3CCC(=O)CC3)nc12
InChIInChI=1S/C16H15N3O/c1-11-3-2-4-12-9-13(10-17)16(18-15(11)12)19-7-5-14(20)6-8-19/h2-4,9H,5-8H2,1H3
InChIKeyYEJNJTXPSUEPFD-UHFFFAOYSA-N
XLogP2.58
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(4-oxopiperidin-1-yl)quinoline-3-carbonitrile?
The IUPAC name of 8-methyl-2-(4-oxopiperidin-1-yl)quinoline-3-carbonitrile (CID 82233252) is 8-methyl-2-(4-oxopiperidin-1-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 8-methyl-2-(4-oxopiperidin-1-yl)quinoline-3-carbonitrile?
The canonical SMILES for 8-methyl-2-(4-oxopiperidin-1-yl)quinoline-3-carbonitrile is Cc1cccc2cc(C#N)c(N3CCC(=O)CC3)nc12.
What is the InChIKey of 8-methyl-2-(4-oxopiperidin-1-yl)quinoline-3-carbonitrile?
The InChIKey is YEJNJTXPSUEPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-3-2-4-12-9-13(10-17)16(18-15(11)12)19-7-5-14(20)6-8-19/h2-4,9H,5-8H2,1H3.
What are the key properties of 8-methyl-2-(4-oxopiperidin-1-yl)quinoline-3-carbonitrile?
8-methyl-2-(4-oxopiperidin-1-yl)quinoline-3-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(4-oxopiperidin-1-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 82233252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).