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

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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).