3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide

C18H14N2O5 — CID 6011150

IUPAC3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide
SMILESCc1ccc2occ(/C=N\NC(=O)c3cc(O)cc(O)c3)c(=O)c2c1
InChIInChI=1S/C18H14N2O5/c1-10-2-3-16-15(4-10)17(23)12(9-25-16)8-19-20-18(24)11-5-13(21)7-14(22)6-11/h2-9,21-22H,1H3,(H,20,24)/b19-8-
InChIKeyZNQNFRROGIZESD-UWVJOHFNSA-N
MW338.32 g/mol
LogP2.28
Rot. Bonds3

About 3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide

3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide (PubChem CID 6011150) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide
PubChem CID6011150
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Name3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide
SMILESCc1ccc2occ(/C=N\NC(=O)c3cc(O)cc(O)c3)c(=O)c2c1
InChIInChI=1S/C18H14N2O5/c1-10-2-3-16-15(4-10)17(23)12(9-25-16)8-19-20-18(24)11-5-13(21)7-14(22)6-11/h2-9,21-22H,1H3,(H,20,24)/b19-8-
InChIKeyZNQNFRROGIZESD-UWVJOHFNSA-N
XLogP2.28
TPSA112.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-6-phenylpyridine-4-carboxamide
CID 44725052
3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide
CID 155490492
4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide
CID 44724851
3,4,5-trimethoxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide;hydrate
CID 139086784
[1-[2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]azanium
CID 4920719
N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
CID 6256828
4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 91944841
N'-[(E)-(6-fluoro-4-oxochromen-3-yl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 6899506
8-chloro-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 44722867
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507
4-butoxy-N-[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]benzamide
CID 17385518
[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]urea
CID 6887527

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide (CID 6011150) is 3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide is Cc1ccc2occ(/C=N\NC(=O)c3cc(O)cc(O)c3)c(=O)c2c1.
What is the InChIKey of 3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide?
The InChIKey is ZNQNFRROGIZESD-UWVJOHFNSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-10-2-3-16-15(4-10)17(23)12(9-25-16)8-19-20-18(24)11-5-13(21)7-14(22)6-11/h2-9,21-22H,1H3,(H,20,24)/b19-8-.
What are the key properties of 3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide?
3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide has a molecular weight of 338.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 6011150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).