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

C19H19N3O2 — CID 2728457

IUPACfuran-2-yl-[4-(2-methylquinolin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n1
InChIInChI=1S/C19H19N3O2/c1-14-13-17(15-5-2-3-6-16(15)20-14)21-8-10-22(11-9-21)19(23)18-7-4-12-24-18/h2-7,12-13H,8-11H2,1H3
InChIKeyDAWDIPGGTKWCSN-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.10
Rot. Bonds2

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

furan-2-yl-[4-(2-methylquinolin-4-yl)piperazin-1-yl]methanone (PubChem CID 2728457) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is furan-2-yl-[4-(2-methylquinolin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(2-methylquinolin-4-yl)piperazin-1-yl]methanone
PubChem CID2728457
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Namefuran-2-yl-[4-(2-methylquinolin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n1
InChIInChI=1S/C19H19N3O2/c1-14-13-17(15-5-2-3-6-16(15)20-14)21-8-10-22(11-9-21)19(23)18-7-4-12-24-18/h2-7,12-13H,8-11H2,1H3
InChIKeyDAWDIPGGTKWCSN-UHFFFAOYSA-N
XLogP3.10
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.10
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-methylquinolin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(2-methylquinolin-4-yl)piperazin-1-yl]methanone (CID 2728457) is furan-2-yl-[4-(2-methylquinolin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(2-methylquinolin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(2-methylquinolin-4-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n1.
What is the InChIKey of furan-2-yl-[4-(2-methylquinolin-4-yl)piperazin-1-yl]methanone?
The InChIKey is DAWDIPGGTKWCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-13-17(15-5-2-3-6-16(15)20-14)21-8-10-22(11-9-21)19(23)18-7-4-12-24-18/h2-7,12-13H,8-11H2,1H3.
What are the key properties of furan-2-yl-[4-(2-methylquinolin-4-yl)piperazin-1-yl]methanone?
furan-2-yl-[4-(2-methylquinolin-4-yl)piperazin-1-yl]methanone has a molecular weight of 321.38 g/mol, XLogP of 3.10, 2 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-methylquinolin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 2728457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).