furan-2-yl-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone

C24H20N4O3 — CID 2408456

IUPACfuran-2-yl-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccn3)nc3ccccc23)CC1
InChIInChI=1S/C24H20N4O3/c29-23(27-11-13-28(14-12-27)24(30)22-9-5-15-31-22)18-16-21(20-8-3-4-10-25-20)26-19-7-2-1-6-17(18)19/h1-10,15-16H,11-14H2
InChIKeyLYKXDSZNEZEZDR-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.49
Rot. Bonds3

About furan-2-yl-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone

furan-2-yl-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 2408456) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is furan-2-yl-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
PubChem CID2408456
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Namefuran-2-yl-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccn3)nc3ccccc23)CC1
InChIInChI=1S/C24H20N4O3/c29-23(27-11-13-28(14-12-27)24(30)22-9-5-15-31-22)18-16-21(20-8-3-4-10-25-20)26-19-7-2-1-6-17(18)19/h1-10,15-16H,11-14H2
InChIKeyLYKXDSZNEZEZDR-UHFFFAOYSA-N
XLogP3.49
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone (CID 2408456) is furan-2-yl-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccn3)nc3ccccc23)CC1.
What is the InChIKey of furan-2-yl-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is LYKXDSZNEZEZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c29-23(27-11-13-28(14-12-27)24(30)22-9-5-15-31-22)18-16-21(20-8-3-4-10-25-20)26-19-7-2-1-6-17(18)19/h1-10,15-16H,11-14H2.
What are the key properties of furan-2-yl-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone?
furan-2-yl-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 412.45 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2408456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).