4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile

C21H18N4O2 — CID 118273418

IUPAC4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile
SMILESN#Cc1ccc(Oc2ccc3nc(C(=O)N4CCNCC4)ccc3c2)cc1
InChIInChI=1S/C21H18N4O2/c22-14-15-1-4-17(5-2-15)27-18-6-8-19-16(13-18)3-7-20(24-19)21(26)25-11-9-23-10-12-25/h1-8,13,23H,9-12H2
InChIKeyBZEQTXGNCCKNKH-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.94
Rot. Bonds3

About 4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile

4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile (PubChem CID 118273418) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile
PubChem CID118273418
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile
SMILESN#Cc1ccc(Oc2ccc3nc(C(=O)N4CCNCC4)ccc3c2)cc1
InChIInChI=1S/C21H18N4O2/c22-14-15-1-4-17(5-2-15)27-18-6-8-19-16(13-18)3-7-20(24-19)21(26)25-11-9-23-10-12-25/h1-8,13,23H,9-12H2
InChIKeyBZEQTXGNCCKNKH-UHFFFAOYSA-N
XLogP2.94
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile?
The IUPAC name of 4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile (CID 118273418) is 4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile.
What is the SMILES notation for 4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile?
The canonical SMILES for 4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile is N#Cc1ccc(Oc2ccc3nc(C(=O)N4CCNCC4)ccc3c2)cc1.
What is the InChIKey of 4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile?
The InChIKey is BZEQTXGNCCKNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c22-14-15-1-4-17(5-2-15)27-18-6-8-19-16(13-18)3-7-20(24-19)21(26)25-11-9-23-10-12-25/h1-8,13,23H,9-12H2.
What are the key properties of 4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile?
4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile has a molecular weight of 358.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(piperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile is sourced from PubChem (CID 118273418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).