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

C24H16N4O4 — CID 122307699

IUPAC2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]chromene-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C24H16N4O4/c29-23(19-15-16-5-1-2-6-20(16)32-24(19)30)25-17-7-9-18(10-8-17)31-22-12-11-21(26-27-22)28-13-3-4-14-28/h1-15H,(H,25,29)
InChIKeyUOKMOYVCOJOEBF-UHFFFAOYSA-N
MW424.42 g/mol
LogP4.42
Rot. Bonds5

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

2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]chromene-3-carboxamide (PubChem CID 122307699) has the molecular formula C24H16N4O4 and a molecular weight of 424.42 g/mol. Its IUPAC name is 2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]chromene-3-carboxamide
PubChem CID122307699
Molecular FormulaC24H16N4O4
Molecular Weight424.42 g/mol
Exact Mass424.12
IUPAC Name2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]chromene-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C24H16N4O4/c29-23(19-15-16-5-1-2-6-20(16)32-24(19)30)25-17-7-9-18(10-8-17)31-22-12-11-21(26-27-22)28-13-3-4-14-28/h1-15H,(H,25,29)
InChIKeyUOKMOYVCOJOEBF-UHFFFAOYSA-N
XLogP4.42
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307665
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]furan-2-carboxamide
CID 122307682
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide
CID 122307854
4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307861
3,5-dinitro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122308001
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
1-methyl-3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide
CID 122307817
2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 110493370
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]cyclopropanecarboxamide
CID 122307702
3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307912
3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122307676
1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122307713

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]chromene-3-carboxamide (CID 122307699) is 2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]chromene-3-carboxamide is O=C(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]chromene-3-carboxamide?
The InChIKey is UOKMOYVCOJOEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O4/c29-23(19-15-16-5-1-2-6-20(16)32-24(19)30)25-17-7-9-18(10-8-17)31-22-12-11-21(26-27-22)28-13-3-4-14-28/h1-15H,(H,25,29).
What are the key properties of 2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]chromene-3-carboxamide?
2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]chromene-3-carboxamide has a molecular weight of 424.42 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]chromene-3-carboxamide is sourced from PubChem (CID 122307699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).