2-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]benzonitrile

C24H28N4O2 — CID 10763756

IUPAC2-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1
InChIInChI=1S/C24H28N4O2/c25-18-20-5-1-2-6-23(20)28-14-12-27(13-15-28)11-3-4-16-30-21-9-7-19-8-10-24(29)26-22(19)17-21/h1-2,5-7,9,17H,3-4,8,10-16H2,(H,26,29)
InChIKeyVTESYDIGEMNUCI-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.42
Rot. Bonds7

About 2-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]benzonitrile

2-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]benzonitrile (PubChem CID 10763756) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]benzonitrile
PubChem CID10763756
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1
InChIInChI=1S/C24H28N4O2/c25-18-20-5-1-2-6-23(20)28-14-12-27(13-15-28)11-3-4-16-30-21-9-7-19-8-10-24(29)26-22(19)17-21/h1-2,5-7,9,17H,3-4,8,10-16H2,(H,26,29)
InChIKeyVTESYDIGEMNUCI-UHFFFAOYSA-N
XLogP3.42
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]benzonitrile 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 2-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]benzonitrile?
The IUPAC name of 2-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]benzonitrile (CID 10763756) is 2-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]benzonitrile is N#Cc1ccccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1.
What is the InChIKey of 2-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]benzonitrile?
The InChIKey is VTESYDIGEMNUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c25-18-20-5-1-2-6-23(20)28-14-12-27(13-15-28)11-3-4-16-30-21-9-7-19-8-10-24(29)26-22(19)17-21/h1-2,5-7,9,17H,3-4,8,10-16H2,(H,26,29).
What are the key properties of 2-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]benzonitrile?
2-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]benzonitrile has a molecular weight of 404.51 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 10763756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).