(3-ethoxyquinoxalin-2-yl)-(4-phenylpiperazin-1-yl)methanone

C21H22N4O2 — CID 53316659

IUPAC(3-ethoxyquinoxalin-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCCOc1nc2ccccc2nc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c1-2-27-20-19(22-17-10-6-7-11-18(17)23-20)21(26)25-14-12-24(13-15-25)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyJIEBAVWMYNGZRX-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.99
Rot. Bonds4

About (3-ethoxyquinoxalin-2-yl)-(4-phenylpiperazin-1-yl)methanone

(3-ethoxyquinoxalin-2-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 53316659) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (3-ethoxyquinoxalin-2-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-ethoxyquinoxalin-2-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID53316659
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(3-ethoxyquinoxalin-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCCOc1nc2ccccc2nc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c1-2-27-20-19(22-17-10-6-7-11-18(17)23-20)21(26)25-14-12-24(13-15-25)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyJIEBAVWMYNGZRX-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxyquinoxalin-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (3-ethoxyquinoxalin-2-yl)-(4-phenylpiperazin-1-yl)methanone (CID 53316659) is (3-ethoxyquinoxalin-2-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-ethoxyquinoxalin-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (3-ethoxyquinoxalin-2-yl)-(4-phenylpiperazin-1-yl)methanone is CCOc1nc2ccccc2nc1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (3-ethoxyquinoxalin-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is JIEBAVWMYNGZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-27-20-19(22-17-10-6-7-11-18(17)23-20)21(26)25-14-12-24(13-15-25)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3.
What are the key properties of (3-ethoxyquinoxalin-2-yl)-(4-phenylpiperazin-1-yl)methanone?
(3-ethoxyquinoxalin-2-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 362.43 g/mol, XLogP of 2.99, 4 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-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 53316659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).