(3-ethoxyquinoxalin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C22H24N4O3 — CID 53321905

IUPAC(3-ethoxyquinoxalin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1nc2ccccc2nc1C(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C22H24N4O3/c1-3-29-21-20(23-18-6-4-5-7-19(18)24-21)22(27)26-14-12-25(13-15-26)16-8-10-17(28-2)11-9-16/h4-11H,3,12-15H2,1-2H3
InChIKeyABMLXZMBXFNUHK-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.00
Rot. Bonds5

About (3-ethoxyquinoxalin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

(3-ethoxyquinoxalin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 53321905) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (3-ethoxyquinoxalin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethoxyquinoxalin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID53321905
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(3-ethoxyquinoxalin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1nc2ccccc2nc1C(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C22H24N4O3/c1-3-29-21-20(23-18-6-4-5-7-19(18)24-21)22(27)26-14-12-25(13-15-26)16-8-10-17(28-2)11-9-16/h4-11H,3,12-15H2,1-2H3
InChIKeyABMLXZMBXFNUHK-UHFFFAOYSA-N
XLogP3.00
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxyquinoxalin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-ethoxyquinoxalin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 53321905) is (3-ethoxyquinoxalin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-ethoxyquinoxalin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-ethoxyquinoxalin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is CCOc1nc2ccccc2nc1C(=O)N1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of (3-ethoxyquinoxalin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is ABMLXZMBXFNUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-29-21-20(23-18-6-4-5-7-19(18)24-21)22(27)26-14-12-25(13-15-26)16-8-10-17(28-2)11-9-16/h4-11H,3,12-15H2,1-2H3.
What are the key properties of (3-ethoxyquinoxalin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
(3-ethoxyquinoxalin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 392.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyquinoxalin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 53321905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).