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

C21H21ClN4O2 — CID 50780663

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone
SMILESCCOc1nc2ccccc2nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H21ClN4O2/c1-2-28-20-19(23-17-8-3-4-9-18(17)24-20)21(27)26-12-10-25(11-13-26)16-7-5-6-15(22)14-16/h3-9,14H,2,10-13H2,1H3
InChIKeyAUIDTYIQTMUFJB-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.64
Rot. Bonds4

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

[4-(3-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone (PubChem CID 50780663) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone
PubChem CID50780663
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone
SMILESCCOc1nc2ccccc2nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H21ClN4O2/c1-2-28-20-19(23-17-8-3-4-9-18(17)24-20)21(27)26-12-10-25(11-13-26)16-7-5-6-15(22)14-16/h3-9,14H,2,10-13H2,1H3
InChIKeyAUIDTYIQTMUFJB-UHFFFAOYSA-N
XLogP3.64
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone (CID 50780663) is [4-(3-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone is CCOc1nc2ccccc2nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone?
The InChIKey is AUIDTYIQTMUFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-2-28-20-19(23-17-8-3-4-9-18(17)24-20)21(27)26-12-10-25(11-13-26)16-7-5-6-15(22)14-16/h3-9,14H,2,10-13H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone has a molecular weight of 396.88 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone is sourced from PubChem (CID 50780663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).