2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile

C16H15N3O — CID 63883511

IUPAC2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCCC(C=O)C2)nc2ccccc12
InChIInChI=1S/C16H15N3O/c17-9-13-8-16(18-15-6-2-1-5-14(13)15)19-7-3-4-12(10-19)11-20/h1-2,5-6,8,11-12H,3-4,7,10H2
InChIKeyRUYOUAMHRKSUBH-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.52
Rot. Bonds2

About 2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile

2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile (PubChem CID 63883511) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile
PubChem CID63883511
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCCC(C=O)C2)nc2ccccc12
InChIInChI=1S/C16H15N3O/c17-9-13-8-16(18-15-6-2-1-5-14(13)15)19-7-3-4-12(10-19)11-20/h1-2,5-6,8,11-12H,3-4,7,10H2
InChIKeyRUYOUAMHRKSUBH-UHFFFAOYSA-N
XLogP2.52
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile?
The IUPAC name of 2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile (CID 63883511) is 2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile?
The canonical SMILES for 2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile is N#Cc1cc(N2CCCC(C=O)C2)nc2ccccc12.
What is the InChIKey of 2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile?
The InChIKey is RUYOUAMHRKSUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-9-13-8-16(18-15-6-2-1-5-14(13)15)19-7-3-4-12(10-19)11-20/h1-2,5-6,8,11-12H,3-4,7,10H2.
What are the key properties of 2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile?
2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile is sourced from PubChem (CID 63883511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).