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

C30H22N2O3 — CID 158867523

IUPAC1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)Cc2cc3nc(-c4ccco4)c(-c4ccco4)nc3c3ccccc23)cc1
InChIInChI=1S/C30H22N2O3/c1-19-10-12-20(13-11-19)16-22(33)17-21-18-25-28(24-7-3-2-6-23(21)24)32-30(27-9-5-15-35-27)29(31-25)26-8-4-14-34-26/h2-15,18H,16-17H2,1H3
InChIKeyIAFDOLJKUACRGI-UHFFFAOYSA-N
MW458.52 g/mol
LogP6.97
Rot. Bonds6

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

1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one (PubChem CID 158867523) has the molecular formula C30H22N2O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
PubChem CID158867523
Molecular FormulaC30H22N2O3
Molecular Weight458.52 g/mol
Exact Mass458.16
IUPAC Name1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)Cc2cc3nc(-c4ccco4)c(-c4ccco4)nc3c3ccccc23)cc1
InChIInChI=1S/C30H22N2O3/c1-19-10-12-20(13-11-19)16-22(33)17-21-18-25-28(24-7-3-2-6-23(21)24)32-30(27-9-5-15-35-27)29(31-25)26-8-4-14-34-26/h2-15,18H,16-17H2,1H3
InChIKeyIAFDOLJKUACRGI-UHFFFAOYSA-N
XLogP6.97
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
CID 158503858
1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
CID 157120485
1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one
CID 158867521
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579
2,3-bis(furan-2-yl)-6,7-dimethylquinoxaline
CID 5125983
2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone
CID 105078848
N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 134029227
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391
2,3-bis(furan-2-yl)quinoxalin-5-ol
CID 135525871
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825231
2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 168527201

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one?
The IUPAC name of 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one (CID 158867523) is 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one.
What is the SMILES notation for 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one?
The canonical SMILES for 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one is Cc1ccc(CC(=O)Cc2cc3nc(-c4ccco4)c(-c4ccco4)nc3c3ccccc23)cc1.
What is the InChIKey of 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one?
The InChIKey is IAFDOLJKUACRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O3/c1-19-10-12-20(13-11-19)16-22(33)17-21-18-25-28(24-7-3-2-6-23(21)24)32-30(27-9-5-15-35-27)29(31-25)26-8-4-14-34-26/h2-15,18H,16-17H2,1H3.
What are the key properties of 1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one?
1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one has a molecular weight of 458.52 g/mol, XLogP of 6.97, 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)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one is sourced from PubChem (CID 158867523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).