8-methoxy-2-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]chromene-3-carboxamide

C23H19N3O5 — CID 121033378

IUPAC8-methoxy-2-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCCn3nc(-c4ccccc4)ccc3=O)c(=O)oc12
InChIInChI=1S/C23H19N3O5/c1-30-19-9-5-8-16-14-17(23(29)31-21(16)19)22(28)24-12-13-26-20(27)11-10-18(25-26)15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,24,28)
InChIKeyXIPBKICRWHONTD-UHFFFAOYSA-N
MW417.42 g/mol
LogP2.46
Rot. Bonds6

About 8-methoxy-2-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]chromene-3-carboxamide

8-methoxy-2-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]chromene-3-carboxamide (PubChem CID 121033378) has the molecular formula C23H19N3O5 and a molecular weight of 417.42 g/mol. Its IUPAC name is 8-methoxy-2-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-2-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]chromene-3-carboxamide
PubChem CID121033378
Molecular FormulaC23H19N3O5
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC Name8-methoxy-2-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCCn3nc(-c4ccccc4)ccc3=O)c(=O)oc12
InChIInChI=1S/C23H19N3O5/c1-30-19-9-5-8-16-14-17(23(29)31-21(16)19)22(28)24-12-13-26-20(27)11-10-18(25-26)15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,24,28)
InChIKeyXIPBKICRWHONTD-UHFFFAOYSA-N
XLogP2.46
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 52.46
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

8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 41241243
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 16820327
8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121058919
N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 71793444
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide
CID 121033316
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 121139633
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 71781600
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
(2S)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]propanoic acid
CID 10493768
N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 26795926
(2S)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 10712897
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]chromene-3-carboxamide?
The IUPAC name of 8-methoxy-2-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]chromene-3-carboxamide (CID 121033378) is 8-methoxy-2-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-2-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-2-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]chromene-3-carboxamide is COc1cccc2cc(C(=O)NCCn3nc(-c4ccccc4)ccc3=O)c(=O)oc12.
What is the InChIKey of 8-methoxy-2-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]chromene-3-carboxamide?
The InChIKey is XIPBKICRWHONTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5/c1-30-19-9-5-8-16-14-17(23(29)31-21(16)19)22(28)24-12-13-26-20(27)11-10-18(25-26)15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,24,28).
What are the key properties of 8-methoxy-2-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]chromene-3-carboxamide?
8-methoxy-2-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]chromene-3-carboxamide has a molecular weight of 417.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]chromene-3-carboxamide is sourced from PubChem (CID 121033378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).