2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methoxyquinoline-3-carbonitrile

C23H28N4O2 — CID 110354893

IUPAC2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methoxyquinoline-3-carbonitrile
SMILESCOc1ccc2nc(N3CCN(C(=O)C(C)C4CCCC4)CC3)c(C#N)cc2c1
InChIInChI=1S/C23H28N4O2/c1-16(17-5-3-4-6-17)23(28)27-11-9-26(10-12-27)22-19(15-24)13-18-14-20(29-2)7-8-21(18)25-22/h7-8,13-14,16-17H,3-6,9-12H2,1-2H3
InChIKeyUSJYPPVGGUDOMV-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.59
Rot. Bonds4

About 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methoxyquinoline-3-carbonitrile

2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methoxyquinoline-3-carbonitrile (PubChem CID 110354893) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methoxyquinoline-3-carbonitrile
PubChem CID110354893
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methoxyquinoline-3-carbonitrile
SMILESCOc1ccc2nc(N3CCN(C(=O)C(C)C4CCCC4)CC3)c(C#N)cc2c1
InChIInChI=1S/C23H28N4O2/c1-16(17-5-3-4-6-17)23(28)27-11-9-26(10-12-27)22-19(15-24)13-18-14-20(29-2)7-8-21(18)25-22/h7-8,13-14,16-17H,3-6,9-12H2,1-2H3
InChIKeyUSJYPPVGGUDOMV-UHFFFAOYSA-N
XLogP3.59
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methoxyquinoline-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-cyano-6-methoxyquinolin-2-yl)-N-(oxan-4-yl)piperazine-1-carboxamide
CID 110632508
2-(4-hydroxypiperidin-1-yl)-6-methoxyquinoline-3-carbonitrile
CID 650445
2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110416964
2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110426690
6-ethoxy-2-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 1454377
6-ethoxy-2-[(3R)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile
CID 1454374
6-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 1454336
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile
CID 46904958
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 110348550
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 110348555
N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide
CID 3221729
2-cyclopropyl-1-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110611377

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methoxyquinoline-3-carbonitrile?
The IUPAC name of 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methoxyquinoline-3-carbonitrile (CID 110354893) is 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methoxyquinoline-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methoxyquinoline-3-carbonitrile?
The canonical SMILES for 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methoxyquinoline-3-carbonitrile is COc1ccc2nc(N3CCN(C(=O)C(C)C4CCCC4)CC3)c(C#N)cc2c1.
What is the InChIKey of 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methoxyquinoline-3-carbonitrile?
The InChIKey is USJYPPVGGUDOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16(17-5-3-4-6-17)23(28)27-11-9-26(10-12-27)22-19(15-24)13-18-14-20(29-2)7-8-21(18)25-22/h7-8,13-14,16-17H,3-6,9-12H2,1-2H3.
What are the key properties of 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methoxyquinoline-3-carbonitrile?
2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methoxyquinoline-3-carbonitrile has a molecular weight of 392.50 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methoxyquinoline-3-carbonitrile is sourced from PubChem (CID 110354893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).