1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-5-imidazol-1-ylpentan-1-one

C24H20N4O3 — CID 158216019

IUPAC1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-5-imidazol-1-ylpentan-1-one
SMILESO=C(CCCCn1ccnc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
InChIInChI=1S/C24H20N4O3/c29-20(5-1-2-11-28-12-10-25-16-28)17-8-9-18-19(15-17)27-24(22-7-4-14-31-22)23(26-18)21-6-3-13-30-21/h3-4,6-10,12-16H,1-2,5,11H2
InChIKeyGCQQAZCLYYOWLY-UHFFFAOYSA-N
MW412.45 g/mol
LogP5.40
Rot. Bonds8

About 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-5-imidazol-1-ylpentan-1-one

1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-5-imidazol-1-ylpentan-1-one (PubChem CID 158216019) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-5-imidazol-1-ylpentan-1-one.

Molecular Properties

Compound Name1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-5-imidazol-1-ylpentan-1-one
PubChem CID158216019
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-5-imidazol-1-ylpentan-1-one
SMILESO=C(CCCCn1ccnc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
InChIInChI=1S/C24H20N4O3/c29-20(5-1-2-11-28-12-10-25-16-28)17-8-9-18-19(15-17)27-24(22-7-4-14-31-22)23(26-18)21-6-3-13-30-21/h3-4,6-10,12-16H,1-2,5,11H2
InChIKeyGCQQAZCLYYOWLY-UHFFFAOYSA-N
XLogP5.40
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-5-imidazol-1-ylpentan-1-one?
The IUPAC name of 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-5-imidazol-1-ylpentan-1-one (CID 158216019) is 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-5-imidazol-1-ylpentan-1-one.
What is the SMILES notation for 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-5-imidazol-1-ylpentan-1-one?
The canonical SMILES for 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-5-imidazol-1-ylpentan-1-one is O=C(CCCCn1ccnc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1.
What is the InChIKey of 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-5-imidazol-1-ylpentan-1-one?
The InChIKey is GCQQAZCLYYOWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c29-20(5-1-2-11-28-12-10-25-16-28)17-8-9-18-19(15-17)27-24(22-7-4-14-31-22)23(26-18)21-6-3-13-30-21/h3-4,6-10,12-16H,1-2,5,11H2.
What are the key properties of 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-5-imidazol-1-ylpentan-1-one?
1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-5-imidazol-1-ylpentan-1-one has a molecular weight of 412.45 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-5-imidazol-1-ylpentan-1-one is sourced from PubChem (CID 158216019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).