N-[4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]furan-2-carboxamide

C22H17N5O3 — CID 53031979

IUPACN-[4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]furan-2-carboxamide
SMILESCCc1nnc2c(Oc3ccc(NC(=O)c4ccco4)cc3)nc3ccccc3n12
InChIInChI=1S/C22H17N5O3/c1-2-19-25-26-20-22(24-16-6-3-4-7-17(16)27(19)20)30-15-11-9-14(10-12-15)23-21(28)18-8-5-13-29-18/h3-13H,2H2,1H3,(H,23,28)
InChIKeyLHGJJUJQZHWDCW-UHFFFAOYSA-N
MW399.41 g/mol
LogP4.48
Rot. Bonds5

About N-[4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]furan-2-carboxamide

N-[4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]furan-2-carboxamide (PubChem CID 53031979) has the molecular formula C22H17N5O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is N-[4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]furan-2-carboxamide
PubChem CID53031979
Molecular FormulaC22H17N5O3
Molecular Weight399.41 g/mol
Exact Mass399.13
IUPAC NameN-[4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]furan-2-carboxamide
SMILESCCc1nnc2c(Oc3ccc(NC(=O)c4ccco4)cc3)nc3ccccc3n12
InChIInChI=1S/C22H17N5O3/c1-2-19-25-26-20-22(24-16-6-3-4-7-17(16)27(19)20)30-15-11-9-14(10-12-15)23-21(28)18-8-5-13-29-18/h3-13H,2H2,1H3,(H,23,28)
InChIKeyLHGJJUJQZHWDCW-UHFFFAOYSA-N
XLogP4.48
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-(4-ethylphenyl)-2-[1-oxo-4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028518
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722971
N-[1-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 17030191
N-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide
CID 56545953
N-[4-[(2,2-diphenylacetyl)amino]phenyl]furan-2-carboxamide
CID 2286846
[4-(furan-2-carbonylamino)phenyl] acetate
CID 1262434
N-[4-(2-propylpentanoylamino)phenyl]furan-2-carboxamide
CID 804751
N-phenazin-2-ylfuran-2-carboxamide
CID 73349396
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]furan-2-carboxamide (CID 53031979) is N-[4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]furan-2-carboxamide is CCc1nnc2c(Oc3ccc(NC(=O)c4ccco4)cc3)nc3ccccc3n12.
What is the InChIKey of N-[4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]furan-2-carboxamide?
The InChIKey is LHGJJUJQZHWDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O3/c1-2-19-25-26-20-22(24-16-6-3-4-7-17(16)27(19)20)30-15-11-9-14(10-12-15)23-21(28)18-8-5-13-29-18/h3-13H,2H2,1H3,(H,23,28).
What are the key properties of N-[4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]furan-2-carboxamide?
N-[4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]furan-2-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 53031979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).