1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one

C28H24N2O3 — CID 158503858

IUPAC1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
SMILESCCc1c(CC(=O)Cc2ccc(C)cc2)ccc2nc(-c3ccco3)c(-c3ccco3)nc12
InChIInChI=1S/C28H24N2O3/c1-3-22-20(17-21(31)16-19-10-8-18(2)9-11-19)12-13-23-26(22)30-28(25-7-5-15-33-25)27(29-23)24-6-4-14-32-24/h4-15H,3,16-17H2,1-2H3
InChIKeyQGDNMNPEJBCWQP-UHFFFAOYSA-N
MW436.51 g/mol
LogP6.37
Rot. Bonds7

About 1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one

1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one (PubChem CID 158503858) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is 1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
PubChem CID158503858
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
SMILESCCc1c(CC(=O)Cc2ccc(C)cc2)ccc2nc(-c3ccco3)c(-c3ccco3)nc12
InChIInChI=1S/C28H24N2O3/c1-3-22-20(17-21(31)16-19-10-8-18(2)9-11-19)12-13-23-26(22)30-28(25-7-5-15-33-25)27(29-23)24-6-4-14-32-24/h4-15H,3,16-17H2,1-2H3
InChIKeyQGDNMNPEJBCWQP-UHFFFAOYSA-N
XLogP6.37
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
CID 158867523
1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
CID 157120485
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579
1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one
CID 158867521
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
2,3-bis(furan-2-yl)quinoxalin-5-ol
CID 135525871
1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one
CID 62622317
2,3-bis(furan-2-yl)-6,7-dimethylquinoxaline
CID 5125983
1-[5-ethyl-4-(furan-2-yl)pyrimidin-2-yl]propan-2-one
CID 123906460
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
1-[3-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]-2-methylpropan-1-one
CID 23612661
methyl 2-[4-(furan-2-yl)phenyl]acetate
CID 168524506

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one?
The IUPAC name of 1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one (CID 158503858) is 1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one.
What is the SMILES notation for 1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one?
The canonical SMILES for 1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one is CCc1c(CC(=O)Cc2ccc(C)cc2)ccc2nc(-c3ccco3)c(-c3ccco3)nc12.
What is the InChIKey of 1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one?
The InChIKey is QGDNMNPEJBCWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-3-22-20(17-21(31)16-19-10-8-18(2)9-11-19)12-13-23-26(22)30-28(25-7-5-15-33-25)27(29-23)24-6-4-14-32-24/h4-15H,3,16-17H2,1-2H3.
What are the key properties of 1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one?
1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one has a molecular weight of 436.51 g/mol, XLogP of 6.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one is sourced from PubChem (CID 158503858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).