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

C25H21N3O3 — CID 1094196

IUPACfuran-2-yl-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C25H21N3O3/c29-24(27-12-14-28(15-13-27)25(30)23-11-6-16-31-23)20-17-22(18-7-2-1-3-8-18)26-21-10-5-4-9-19(20)21/h1-11,16-17H,12-15H2
InChIKeyIGZYBDAUIOLYGE-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.09
Rot. Bonds3

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

furan-2-yl-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 1094196) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is furan-2-yl-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]methanone
PubChem CID1094196
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Namefuran-2-yl-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C25H21N3O3/c29-24(27-12-14-28(15-13-27)25(30)23-11-6-16-31-23)20-17-22(18-7-2-1-3-8-18)26-21-10-5-4-9-19(20)21/h1-11,16-17H,12-15H2
InChIKeyIGZYBDAUIOLYGE-UHFFFAOYSA-N
XLogP4.09
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]methanone (CID 1094196) is furan-2-yl-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1.
What is the InChIKey of furan-2-yl-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is IGZYBDAUIOLYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c29-24(27-12-14-28(15-13-27)25(30)23-11-6-16-31-23)20-17-22(18-7-2-1-3-8-18)26-21-10-5-4-9-19(20)21/h1-11,16-17H,12-15H2.
What are the key properties of furan-2-yl-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]methanone?
furan-2-yl-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 411.46 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1094196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).