1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one

C25H17BrN2O3 — CID 158867521

IUPAC1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one
SMILESO=C(Cc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)Cc1ccccc1Br
InChIInChI=1S/C25H17BrN2O3/c26-19-6-2-1-5-17(19)15-18(29)13-16-9-10-20-21(14-16)28-25(23-8-4-12-31-23)24(27-20)22-7-3-11-30-22/h1-12,14H,13,15H2
InChIKeyQTBLVISHOCVIBH-UHFFFAOYSA-N
MW473.33 g/mol
LogP6.27
Rot. Bonds6

About 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one

1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one (PubChem CID 158867521) has the molecular formula C25H17BrN2O3 and a molecular weight of 473.33 g/mol. Its IUPAC name is 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one.

Molecular Properties

Compound Name1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one
PubChem CID158867521
Molecular FormulaC25H17BrN2O3
Molecular Weight473.33 g/mol
Exact Mass472.04
IUPAC Name1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one
SMILESO=C(Cc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)Cc1ccccc1Br
InChIInChI=1S/C25H17BrN2O3/c26-19-6-2-1-5-17(19)15-18(29)13-16-9-10-20-21(14-16)28-25(23-8-4-12-31-23)24(27-20)22-7-3-11-30-22/h1-12,14H,13,15H2
InChIKeyQTBLVISHOCVIBH-UHFFFAOYSA-N
XLogP6.27
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.33
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
CID 157120485
1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
CID 158867523
1-(2-bromophenyl)-3-(furan-3-yl)propan-2-one
CID 83172582
1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
CID 158503858
1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551928
1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one
CID 158965713
1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62829314
1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62829143
2,3-bis(furan-2-yl)-6,7-dimethylquinoxaline
CID 5125983
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23943716
2,3-bis(furan-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-6-carboxamide
CID 3239711
2-[2-(furan-2-yl)-1,3-benzothiazol-6-yl]acetic acid
CID 39105332

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one?
The IUPAC name of 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one (CID 158867521) is 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one.
What is the SMILES notation for 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one?
The canonical SMILES for 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one is O=C(Cc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)Cc1ccccc1Br.
What is the InChIKey of 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one?
The InChIKey is QTBLVISHOCVIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrN2O3/c26-19-6-2-1-5-17(19)15-18(29)13-16-9-10-20-21(14-16)28-25(23-8-4-12-31-23)24(27-20)22-7-3-11-30-22/h1-12,14H,13,15H2.
What are the key properties of 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one?
1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one has a molecular weight of 473.33 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one is sourced from PubChem (CID 158867521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).