[2,3-bis(furan-2-yl)quinoxalin-6-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C28H24N4O4 — CID 3240449

IUPAC[2,3-bis(furan-2-yl)quinoxalin-6-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)CC1
InChIInChI=1S/C28H24N4O4/c1-34-23-7-3-2-6-22(23)31-12-14-32(15-13-31)28(33)19-10-11-20-21(18-19)30-27(25-9-5-17-36-25)26(29-20)24-8-4-16-35-24/h2-11,16-18H,12-15H2,1H3
InChIKeyPLISQVZGUCUXSY-UHFFFAOYSA-N
MW480.52 g/mol
LogP5.12
Rot. Bonds5

About [2,3-bis(furan-2-yl)quinoxalin-6-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[2,3-bis(furan-2-yl)quinoxalin-6-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 3240449) has the molecular formula C28H24N4O4 and a molecular weight of 480.52 g/mol. Its IUPAC name is [2,3-bis(furan-2-yl)quinoxalin-6-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2,3-bis(furan-2-yl)quinoxalin-6-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID3240449
Molecular FormulaC28H24N4O4
Molecular Weight480.52 g/mol
Exact Mass480.18
IUPAC Name[2,3-bis(furan-2-yl)quinoxalin-6-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)CC1
InChIInChI=1S/C28H24N4O4/c1-34-23-7-3-2-6-22(23)31-12-14-32(15-13-31)28(33)19-10-11-20-21(18-19)30-27(25-9-5-17-36-25)26(29-20)24-8-4-16-35-24/h2-11,16-18H,12-15H2,1H3
InChIKeyPLISQVZGUCUXSY-UHFFFAOYSA-N
XLogP5.12
TPSA84.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2,3-bis(furan-2-yl)quinoxalin-6-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2,3-bis(furan-2-yl)quinoxalin-6-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 3240449) is [2,3-bis(furan-2-yl)quinoxalin-6-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2,3-bis(furan-2-yl)quinoxalin-6-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2,3-bis(furan-2-yl)quinoxalin-6-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)CC1.
What is the InChIKey of [2,3-bis(furan-2-yl)quinoxalin-6-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is PLISQVZGUCUXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O4/c1-34-23-7-3-2-6-22(23)31-12-14-32(15-13-31)28(33)19-10-11-20-21(18-19)30-27(25-9-5-17-36-25)26(29-20)24-8-4-16-35-24/h2-11,16-18H,12-15H2,1H3.
What are the key properties of [2,3-bis(furan-2-yl)quinoxalin-6-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[2,3-bis(furan-2-yl)quinoxalin-6-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 480.52 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(furan-2-yl)quinoxalin-6-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3240449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).