4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile

C17H19N3O — CID 126507552

IUPAC4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
SMILESCC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccccc23)CC1
InChIInChI=1S/C17H19N3O/c1-17(2)7-9-20(10-8-17)15-12-5-3-4-6-14(12)19-16(21)13(15)11-18/h3-6H,7-10H2,1-2H3,(H,19,21)
InChIKeyNFLSUXGWBGDGBF-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.03
Rot. Bonds1

About 4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile

4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 126507552) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID126507552
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
SMILESCC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccccc23)CC1
InChIInChI=1S/C17H19N3O/c1-17(2)7-9-20(10-8-17)15-12-5-3-4-6-14(12)19-16(21)13(15)11-18/h3-6H,7-10H2,1-2H3,(H,19,21)
InChIKeyNFLSUXGWBGDGBF-UHFFFAOYSA-N
XLogP3.03
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile (CID 126507552) is 4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile is CC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccccc23)CC1.
What is the InChIKey of 4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is NFLSUXGWBGDGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-17(2)7-9-20(10-8-17)15-12-5-3-4-6-14(12)19-16(21)13(15)11-18/h3-6H,7-10H2,1-2H3,(H,19,21).
What are the key properties of 4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile?
4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 126507552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).