6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide

C25H26N4O2 — CID 118273925

IUPAC6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide
SMILESN#Cc1ccc(Oc2ccc3nc(C(=O)NCCCN4CCCCC4)ccc3c2)cc1
InChIInChI=1S/C25H26N4O2/c26-18-19-5-8-21(9-6-19)31-22-10-12-23-20(17-22)7-11-24(28-23)25(30)27-13-4-16-29-14-2-1-3-15-29/h5-12,17H,1-4,13-16H2,(H,27,30)
InChIKeySBDUDRDGZVRQBY-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.50
Rot. Bonds7

About 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide

6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide (PubChem CID 118273925) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide
PubChem CID118273925
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide
SMILESN#Cc1ccc(Oc2ccc3nc(C(=O)NCCCN4CCCCC4)ccc3c2)cc1
InChIInChI=1S/C25H26N4O2/c26-18-19-5-8-21(9-6-19)31-22-10-12-23-20(17-22)7-11-24(28-23)25(30)27-13-4-16-29-14-2-1-3-15-29/h5-12,17H,1-4,13-16H2,(H,27,30)
InChIKeySBDUDRDGZVRQBY-UHFFFAOYSA-N
XLogP4.50
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide?
The IUPAC name of 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide (CID 118273925) is 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide.
What is the SMILES notation for 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide?
The canonical SMILES for 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide is N#Cc1ccc(Oc2ccc3nc(C(=O)NCCCN4CCCCC4)ccc3c2)cc1.
What is the InChIKey of 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide?
The InChIKey is SBDUDRDGZVRQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c26-18-19-5-8-21(9-6-19)31-22-10-12-23-20(17-22)7-11-24(28-23)25(30)27-13-4-16-29-14-2-1-3-15-29/h5-12,17H,1-4,13-16H2,(H,27,30).
What are the key properties of 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide?
6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide is sourced from PubChem (CID 118273925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).