[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate

C26H31N5O4 — CID 16610750

IUPAC[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
SMILESCCCCn1c(=O)c(CCC(=O)OCC(=O)N2CCN(c3ccccn3)CC2)nc2ccccc21
InChIInChI=1S/C26H31N5O4/c1-2-3-14-31-22-9-5-4-8-20(22)28-21(26(31)34)11-12-25(33)35-19-24(32)30-17-15-29(16-18-30)23-10-6-7-13-27-23/h4-10,13H,2-3,11-12,14-19H2,1H3
InChIKeyUZNGATFADSEARN-UHFFFAOYSA-N
MW477.57 g/mol
LogP2.42
Rot. Bonds9

About [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate

[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate (PubChem CID 16610750) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
PubChem CID16610750
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Name[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
SMILESCCCCn1c(=O)c(CCC(=O)OCC(=O)N2CCN(c3ccccn3)CC2)nc2ccccc21
InChIInChI=1S/C26H31N5O4/c1-2-3-14-31-22-9-5-4-8-20(22)28-21(26(31)34)11-12-25(33)35-19-24(32)30-17-15-29(16-18-30)23-10-6-7-13-27-23/h4-10,13H,2-3,11-12,14-19H2,1H3
InChIKeyUZNGATFADSEARN-UHFFFAOYSA-N
XLogP2.42
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate?
The IUPAC name of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate (CID 16610750) is [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate.
What is the SMILES notation for [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate?
The canonical SMILES for [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate is CCCCn1c(=O)c(CCC(=O)OCC(=O)N2CCN(c3ccccn3)CC2)nc2ccccc21.
What is the InChIKey of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate?
The InChIKey is UZNGATFADSEARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-2-3-14-31-22-9-5-4-8-20(22)28-21(26(31)34)11-12-25(33)35-19-24(32)30-17-15-29(16-18-30)23-10-6-7-13-27-23/h4-10,13H,2-3,11-12,14-19H2,1H3.
What are the key properties of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate?
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate has a molecular weight of 477.57 g/mol, XLogP of 2.42, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate is sourced from PubChem (CID 16610750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).