1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one

C23H20N2O2 — CID 157120485

IUPAC1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)Cc2ccc3nc(C)c(-c4ccco4)nc3c2)cc1
InChIInChI=1S/C23H20N2O2/c1-15-5-7-17(8-6-15)12-19(26)13-18-9-10-20-21(14-18)25-23(16(2)24-20)22-4-3-11-27-22/h3-11,14H,12-13H2,1-2H3
InChIKeyMPZLUPWRQAEEOA-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.86
Rot. Bonds5

About 1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one

1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one (PubChem CID 157120485) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
PubChem CID157120485
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)Cc2ccc3nc(C)c(-c4ccco4)nc3c2)cc1
InChIInChI=1S/C23H20N2O2/c1-15-5-7-17(8-6-15)12-19(26)13-18-9-10-20-21(14-18)25-23(16(2)24-20)22-4-3-11-27-22/h3-11,14H,12-13H2,1-2H3
InChIKeyMPZLUPWRQAEEOA-UHFFFAOYSA-N
XLogP4.86
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one
CID 158867521
1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
CID 158503858
1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
CID 158867523
1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one
CID 158965713
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579
2,3-bis(furan-2-yl)-6,7-dimethylquinoxaline
CID 5125983
[2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23915588
1-(2,3-dimethylquinoxalin-6-yl)-6-piperidin-1-ylhexan-2-one
CID 162108292
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
CID 63409816
1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one
CID 82920094
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
2-[2-(furan-2-yl)-1,3-benzothiazol-6-yl]acetic acid
CID 39105332

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one?
The IUPAC name of 1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one (CID 157120485) is 1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one.
What is the SMILES notation for 1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one?
The canonical SMILES for 1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one is Cc1ccc(CC(=O)Cc2ccc3nc(C)c(-c4ccco4)nc3c2)cc1.
What is the InChIKey of 1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one?
The InChIKey is MPZLUPWRQAEEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-15-5-7-17(8-6-15)12-19(26)13-18-9-10-20-21(14-18)25-23(16(2)24-20)22-4-3-11-27-22/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one?
1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one has a molecular weight of 356.43 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one is sourced from PubChem (CID 157120485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).