methyl 2-phenyl-3-(4-phenylpiperazin-1-yl)quinoxaline-6-carboxylate

C26H24N4O2 — CID 67042024

IUPACmethyl 2-phenyl-3-(4-phenylpiperazin-1-yl)quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3)c(N3CCN(c4ccccc4)CC3)nc2c1
InChIInChI=1S/C26H24N4O2/c1-32-26(31)20-12-13-22-23(18-20)28-25(24(27-22)19-8-4-2-5-9-19)30-16-14-29(15-17-30)21-10-6-3-7-11-21/h2-13,18H,14-17H2,1H3
InChIKeyLOYBHFVCNSPHNI-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.41
Rot. Bonds4

About methyl 2-phenyl-3-(4-phenylpiperazin-1-yl)quinoxaline-6-carboxylate

methyl 2-phenyl-3-(4-phenylpiperazin-1-yl)quinoxaline-6-carboxylate (PubChem CID 67042024) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is methyl 2-phenyl-3-(4-phenylpiperazin-1-yl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenyl-3-(4-phenylpiperazin-1-yl)quinoxaline-6-carboxylate
PubChem CID67042024
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Namemethyl 2-phenyl-3-(4-phenylpiperazin-1-yl)quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3)c(N3CCN(c4ccccc4)CC3)nc2c1
InChIInChI=1S/C26H24N4O2/c1-32-26(31)20-12-13-22-23(18-20)28-25(24(27-22)19-8-4-2-5-9-19)30-16-14-29(15-17-30)21-10-6-3-7-11-21/h2-13,18H,14-17H2,1H3
InChIKeyLOYBHFVCNSPHNI-UHFFFAOYSA-N
XLogP4.41
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-3-(4-phenylpiperazin-1-yl)quinoxaline-6-carboxylate?
The IUPAC name of methyl 2-phenyl-3-(4-phenylpiperazin-1-yl)quinoxaline-6-carboxylate (CID 67042024) is methyl 2-phenyl-3-(4-phenylpiperazin-1-yl)quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2-phenyl-3-(4-phenylpiperazin-1-yl)quinoxaline-6-carboxylate?
The canonical SMILES for methyl 2-phenyl-3-(4-phenylpiperazin-1-yl)quinoxaline-6-carboxylate is COC(=O)c1ccc2nc(-c3ccccc3)c(N3CCN(c4ccccc4)CC3)nc2c1.
What is the InChIKey of methyl 2-phenyl-3-(4-phenylpiperazin-1-yl)quinoxaline-6-carboxylate?
The InChIKey is LOYBHFVCNSPHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-32-26(31)20-12-13-22-23(18-20)28-25(24(27-22)19-8-4-2-5-9-19)30-16-14-29(15-17-30)21-10-6-3-7-11-21/h2-13,18H,14-17H2,1H3.
What are the key properties of methyl 2-phenyl-3-(4-phenylpiperazin-1-yl)quinoxaline-6-carboxylate?
methyl 2-phenyl-3-(4-phenylpiperazin-1-yl)quinoxaline-6-carboxylate has a molecular weight of 424.50 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-3-(4-phenylpiperazin-1-yl)quinoxaline-6-carboxylate is sourced from PubChem (CID 67042024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).