N-[(3-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide

C24H16FN3O3 — CID 54583242

IUPACN-[(3-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
InChIInChI=1S/C24H16FN3O3/c25-17-5-1-4-15(12-17)14-26-24(29)16-8-9-18-19(13-16)28-23(21-7-3-11-31-21)22(27-18)20-6-2-10-30-20/h1-13H,14H2,(H,26,29)
InChIKeyPFBDMRFQRDXNNZ-UHFFFAOYSA-N
MW413.41 g/mol
LogP5.22
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide

N-[(3-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide (PubChem CID 54583242) has the molecular formula C24H16FN3O3 and a molecular weight of 413.41 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide
PubChem CID54583242
Molecular FormulaC24H16FN3O3
Molecular Weight413.41 g/mol
Exact Mass413.12
IUPAC NameN-[(3-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
InChIInChI=1S/C24H16FN3O3/c25-17-5-1-4-15(12-17)14-26-24(29)16-8-9-18-19(13-16)28-23(21-7-3-11-31-21)22(27-18)20-6-2-10-30-20/h1-13H,14H2,(H,26,29)
InChIKeyPFBDMRFQRDXNNZ-UHFFFAOYSA-N
XLogP5.22
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.41
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-bis(furan-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-6-carboxamide
CID 3239711
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23744507
2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 10293185
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55946409
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
N-cyclopentyl-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide
CID 3236343
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 113244666
N-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide
CID 46055934
N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 60764843

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide (CID 54583242) is N-[(3-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide is O=C(NCc1cccc(F)c1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide?
The InChIKey is PFBDMRFQRDXNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O3/c25-17-5-1-4-15(12-17)14-26-24(29)16-8-9-18-19(13-16)28-23(21-7-3-11-31-21)22(27-18)20-6-2-10-30-20/h1-13H,14H2,(H,26,29).
What are the key properties of N-[(3-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide?
N-[(3-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide has a molecular weight of 413.41 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 54583242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).