1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione

C24H26N4O3 — CID 108741298

IUPAC1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione
SMILESCOc1ccc(C(=O)CCC(=O)N2CCN(c3nc4ccccc4nc3C)CC2)cc1
InChIInChI=1S/C24H26N4O3/c1-17-24(26-21-6-4-3-5-20(21)25-17)28-15-13-27(14-16-28)23(30)12-11-22(29)18-7-9-19(31-2)10-8-18/h3-10H,11-16H2,1-2H3
InChIKeyAIXYVPUINNCASI-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.26
Rot. Bonds6

About 1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione

1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione (PubChem CID 108741298) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione
PubChem CID108741298
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione
SMILESCOc1ccc(C(=O)CCC(=O)N2CCN(c3nc4ccccc4nc3C)CC2)cc1
InChIInChI=1S/C24H26N4O3/c1-17-24(26-21-6-4-3-5-20(21)25-17)28-15-13-27(14-16-28)23(30)12-11-22(29)18-7-9-19(31-2)10-8-18/h3-10H,11-16H2,1-2H3
InChIKeyAIXYVPUINNCASI-UHFFFAOYSA-N
XLogP3.26
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione?
The IUPAC name of 1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione (CID 108741298) is 1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione is COc1ccc(C(=O)CCC(=O)N2CCN(c3nc4ccccc4nc3C)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione?
The InChIKey is AIXYVPUINNCASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-17-24(26-21-6-4-3-5-20(21)25-17)28-15-13-27(14-16-28)23(30)12-11-22(29)18-7-9-19(31-2)10-8-18/h3-10H,11-16H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione?
1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione has a molecular weight of 418.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione is sourced from PubChem (CID 108741298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).