(3-ethoxyquinoxalin-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone

C18H22N4O2 — CID 53316660

IUPAC(3-ethoxyquinoxalin-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2nc3ccccc3nc2OCC)CC1
InChIInChI=1S/C18H22N4O2/c1-3-9-21-10-12-22(13-11-21)18(23)16-17(24-4-2)20-15-8-6-5-7-14(15)19-16/h3,5-8H,1,4,9-13H2,2H3
InChIKeyGUBPWDMKYNLYTG-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.97
Rot. Bonds5

About (3-ethoxyquinoxalin-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone

(3-ethoxyquinoxalin-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone (PubChem CID 53316660) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3-ethoxyquinoxalin-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-ethoxyquinoxalin-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
PubChem CID53316660
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(3-ethoxyquinoxalin-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2nc3ccccc3nc2OCC)CC1
InChIInChI=1S/C18H22N4O2/c1-3-9-21-10-12-22(13-11-21)18(23)16-17(24-4-2)20-15-8-6-5-7-14(15)19-16/h3,5-8H,1,4,9-13H2,2H3
InChIKeyGUBPWDMKYNLYTG-UHFFFAOYSA-N
XLogP1.97
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxyquinoxalin-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The IUPAC name of (3-ethoxyquinoxalin-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone (CID 53316660) is (3-ethoxyquinoxalin-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-ethoxyquinoxalin-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The canonical SMILES for (3-ethoxyquinoxalin-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone is C=CCN1CCN(C(=O)c2nc3ccccc3nc2OCC)CC1.
What is the InChIKey of (3-ethoxyquinoxalin-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The InChIKey is GUBPWDMKYNLYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-9-21-10-12-22(13-11-21)18(23)16-17(24-4-2)20-15-8-6-5-7-14(15)19-16/h3,5-8H,1,4,9-13H2,2H3.
What are the key properties of (3-ethoxyquinoxalin-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
(3-ethoxyquinoxalin-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyquinoxalin-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone is sourced from PubChem (CID 53316660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).