N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide

C23H16N6O2 — CID 122307854

IUPACN-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1cnc2ccccc2n1
InChIInChI=1S/C23H16N6O2/c30-23(20-15-24-18-5-1-2-6-19(18)26-20)25-16-7-9-17(10-8-16)31-22-12-11-21(27-28-22)29-13-3-4-14-29/h1-15H,(H,25,30)
InChIKeyOJXXPLXWSAXEOX-UHFFFAOYSA-N
MW408.42 g/mol
LogP4.26
Rot. Bonds5

About N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide

N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide (PubChem CID 122307854) has the molecular formula C23H16N6O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide
PubChem CID122307854
Molecular FormulaC23H16N6O2
Molecular Weight408.42 g/mol
Exact Mass408.13
IUPAC NameN-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1cnc2ccccc2n1
InChIInChI=1S/C23H16N6O2/c30-23(20-15-24-18-5-1-2-6-19(18)26-20)25-16-7-9-17(10-8-16)31-22-12-11-21(27-28-22)29-13-3-4-14-29/h1-15H,(H,25,30)
InChIKeyOJXXPLXWSAXEOX-UHFFFAOYSA-N
XLogP4.26
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-pyrimidin-2-yloxyphenyl)quinoxaline-2-carboxamide
CID 47051300
2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307665
4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307861
4-pentoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307900
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]furan-2-carboxamide
CID 122307682
3,5-dinitro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122308001
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]cyclopropanecarboxamide
CID 122307702
2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]chromene-3-carboxamide
CID 122307699
3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122307676
N-(4-ethoxyphenyl)quinoxaline-2-carboxamide
CID 2738538
1-methyl-3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide
CID 122307817
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]quinoline-2-carboxamide
CID 122307057

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide (CID 122307854) is N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide is O=C(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1cnc2ccccc2n1.
What is the InChIKey of N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide?
The InChIKey is OJXXPLXWSAXEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6O2/c30-23(20-15-24-18-5-1-2-6-19(18)26-20)25-16-7-9-17(10-8-16)31-22-12-11-21(27-28-22)29-13-3-4-14-29/h1-15H,(H,25,30).
What are the key properties of N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide?
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide has a molecular weight of 408.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 122307854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).