(4-ethylpiperazin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone

C20H21N3O2 — CID 2421019

IUPAC(4-ethylpiperazin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)CC1
InChIInChI=1S/C20H21N3O2/c1-2-22-9-11-23(12-10-22)20(24)16-14-18(19-8-5-13-25-19)21-17-7-4-3-6-15(16)17/h3-8,13-14H,2,9-12H2,1H3
InChIKeyITJGSTXVELSGKS-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.27
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone

(4-ethylpiperazin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone (PubChem CID 2421019) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone
PubChem CID2421019
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(4-ethylpiperazin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)CC1
InChIInChI=1S/C20H21N3O2/c1-2-22-9-11-23(12-10-22)20(24)16-14-18(19-8-5-13-25-19)21-17-7-4-3-6-15(16)17/h3-8,13-14H,2,9-12H2,1H3
InChIKeyITJGSTXVELSGKS-UHFFFAOYSA-N
XLogP3.27
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone (CID 2421019) is (4-ethylpiperazin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone is CCN1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone?
The InChIKey is ITJGSTXVELSGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-22-9-11-23(12-10-22)20(24)16-14-18(19-8-5-13-25-19)21-17-7-4-3-6-15(16)17/h3-8,13-14H,2,9-12H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone has a molecular weight of 335.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 2421019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).