2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone

C26H23N5O2 — CID 56522168

IUPAC2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccn1)N1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C26H23N5O2/c32-25(16-20-7-3-4-11-28-20)30-12-14-31(15-13-30)26(33)22-17-24(19-6-5-10-27-18-19)29-23-9-2-1-8-21(22)23/h1-11,17-18H,12-16H2
InChIKeyJMNMQDMTOSZVTM-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.22
Rot. Bonds4

About 2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone

2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 56522168) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID56522168
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccn1)N1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C26H23N5O2/c32-25(16-20-7-3-4-11-28-20)30-12-14-31(15-13-30)26(33)22-17-24(19-6-5-10-27-18-19)29-23-9-2-1-8-21(22)23/h1-11,17-18H,12-16H2
InChIKeyJMNMQDMTOSZVTM-UHFFFAOYSA-N
XLogP3.22
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 24610413
[4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119519440
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612002
[2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2382262
(3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119380128
[2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
CID 55614291
2-(2,3-dimethylphenoxy)-1-[4-(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 166179184
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
(4-pyridin-2-ylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 27255529
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone (CID 56522168) is 2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone is O=C(Cc1ccccn1)N1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)CC1.
What is the InChIKey of 2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is JMNMQDMTOSZVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c32-25(16-20-7-3-4-11-28-20)30-12-14-31(15-13-30)26(33)22-17-24(19-6-5-10-27-18-19)29-23-9-2-1-8-21(22)23/h1-11,17-18H,12-16H2.
What are the key properties of 2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone?
2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 437.50 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 56522168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).