4-[4-(4-quinolin-5-ylbutanoyl)piperazin-1-yl]pyridine-2-carbonitrile

C23H23N5O — CID 162660374

IUPAC4-[4-(4-quinolin-5-ylbutanoyl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCN(C(=O)CCCc3cccc4ncccc34)CC2)ccn1
InChIInChI=1S/C23H23N5O/c24-17-19-16-20(9-11-25-19)27-12-14-28(15-13-27)23(29)8-2-5-18-4-1-7-22-21(18)6-3-10-26-22/h1,3-4,6-7,9-11,16H,2,5,8,12-15H2
InChIKeyIPURBTWHJGXECR-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.17
Rot. Bonds5

About 4-[4-(4-quinolin-5-ylbutanoyl)piperazin-1-yl]pyridine-2-carbonitrile

4-[4-(4-quinolin-5-ylbutanoyl)piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 162660374) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[4-(4-quinolin-5-ylbutanoyl)piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(4-quinolin-5-ylbutanoyl)piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID162660374
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-[4-(4-quinolin-5-ylbutanoyl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCN(C(=O)CCCc3cccc4ncccc34)CC2)ccn1
InChIInChI=1S/C23H23N5O/c24-17-19-16-20(9-11-25-19)27-12-14-28(15-13-27)23(29)8-2-5-18-4-1-7-22-21(18)6-3-10-26-22/h1,3-4,6-7,9-11,16H,2,5,8,12-15H2
InChIKeyIPURBTWHJGXECR-UHFFFAOYSA-N
XLogP3.17
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-quinolin-5-ylbutanoyl)piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-(4-quinolin-5-ylbutanoyl)piperazin-1-yl]pyridine-2-carbonitrile (CID 162660374) is 4-[4-(4-quinolin-5-ylbutanoyl)piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-(4-quinolin-5-ylbutanoyl)piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-(4-quinolin-5-ylbutanoyl)piperazin-1-yl]pyridine-2-carbonitrile is N#Cc1cc(N2CCN(C(=O)CCCc3cccc4ncccc34)CC2)ccn1.
What is the InChIKey of 4-[4-(4-quinolin-5-ylbutanoyl)piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is IPURBTWHJGXECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c24-17-19-16-20(9-11-25-19)27-12-14-28(15-13-27)23(29)8-2-5-18-4-1-7-22-21(18)6-3-10-26-22/h1,3-4,6-7,9-11,16H,2,5,8,12-15H2.
What are the key properties of 4-[4-(4-quinolin-5-ylbutanoyl)piperazin-1-yl]pyridine-2-carbonitrile?
4-[4-(4-quinolin-5-ylbutanoyl)piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 385.47 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-quinolin-5-ylbutanoyl)piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 162660374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).