2,3-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide

C23H19N5O3 — CID 118463938

IUPAC2,3-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
InChIInChI=1S/C23H19N5O3/c29-23(25-8-3-10-28-11-9-24-15-28)16-6-7-17-18(14-16)27-22(20-5-2-13-31-20)21(26-17)19-4-1-12-30-19/h1-2,4-7,9,11-15H,3,8,10H2,(H,25,29)
InChIKeyNURXJWKCDHLETO-UHFFFAOYSA-N
MW413.44 g/mol
LogP4.17
Rot. Bonds7

About 2,3-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide

2,3-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide (PubChem CID 118463938) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 2,3-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide
PubChem CID118463938
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC Name2,3-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
InChIInChI=1S/C23H19N5O3/c29-23(25-8-3-10-28-11-9-24-15-28)16-6-7-17-18(14-16)27-22(20-5-2-13-31-20)21(26-17)19-4-1-12-30-19/h1-2,4-7,9,11-15H,3,8,10H2,(H,25,29)
InChIKeyNURXJWKCDHLETO-UHFFFAOYSA-N
XLogP4.17
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
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 2,3-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide?
The IUPAC name of 2,3-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide (CID 118463938) is 2,3-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide is O=C(NCCCn1ccnc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1.
What is the InChIKey of 2,3-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide?
The InChIKey is NURXJWKCDHLETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c29-23(25-8-3-10-28-11-9-24-15-28)16-6-7-17-18(14-16)27-22(20-5-2-13-31-20)21(26-17)19-4-1-12-30-19/h1-2,4-7,9,11-15H,3,8,10H2,(H,25,29).
What are the key properties of 2,3-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide?
2,3-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 118463938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).