N-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide

C28H20N4O2 — CID 108757752

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)cc2nc1C
InChIInChI=1S/C28H20N4O2/c1-17-18(2)31-24-15-21(13-14-23(24)30-17)27(33)32-28-22(16-29)25(19-9-5-3-6-10-19)26(34-28)20-11-7-4-8-12-20/h3-15H,1-2H3,(H,32,33)
InChIKeyFMFHEBRRNZSUAW-UHFFFAOYSA-N
MW444.49 g/mol
LogP6.30
Rot. Bonds4

About N-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide

N-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 108757752) has the molecular formula C28H20N4O2 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID108757752
Molecular FormulaC28H20N4O2
Molecular Weight444.49 g/mol
Exact Mass444.16
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)cc2nc1C
InChIInChI=1S/C28H20N4O2/c1-17-18(2)31-24-15-21(13-14-23(24)30-17)27(33)32-28-22(16-29)25(19-9-5-3-6-10-19)26(34-28)20-11-7-4-8-12-20/h3-15H,1-2H3,(H,32,33)
InChIKeyFMFHEBRRNZSUAW-UHFFFAOYSA-N
XLogP6.30
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
CID 108757664
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide
CID 18846752
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide
CID 108757692
4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide
CID 108757677
2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108757660
2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide
CID 1102939
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,4-dinitrobenzamide
CID 23875644
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 23993962
N-(3-cyano-4,5-diphenylfuran-2-yl)methanesulfonamide
CID 108781743
N-(3-cyano-4-methylfuran-2-yl)benzamide
CID 13416964
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 108757727

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide (CID 108757752) is N-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)cc2nc1C.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is FMFHEBRRNZSUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O2/c1-17-18(2)31-24-15-21(13-14-23(24)30-17)27(33)32-28-22(16-29)25(19-9-5-3-6-10-19)26(34-28)20-11-7-4-8-12-20/h3-15H,1-2H3,(H,32,33).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 108757752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).