3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide

C20H20N4O6 — CID 9084630

IUPAC3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)Cn2ncc(=O)c3ccccc32)cc(OC)c1OC
InChIInChI=1S/C20H20N4O6/c1-28-16-8-12(9-17(29-2)19(16)30-3)20(27)23-22-18(26)11-24-14-7-5-4-6-13(14)15(25)10-21-24/h4-10H,11H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyCIAFYWOSMVWSFZ-UHFFFAOYSA-N
MW412.40 g/mol
LogP0.88
Rot. Bonds6

About 3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide

3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide (PubChem CID 9084630) has the molecular formula C20H20N4O6 and a molecular weight of 412.40 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide
PubChem CID9084630
Molecular FormulaC20H20N4O6
Molecular Weight412.40 g/mol
Exact Mass412.14
IUPAC Name3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)Cn2ncc(=O)c3ccccc32)cc(OC)c1OC
InChIInChI=1S/C20H20N4O6/c1-28-16-8-12(9-17(29-2)19(16)30-3)20(27)23-22-18(26)11-24-14-7-5-4-6-13(14)15(25)10-21-24/h4-10H,11H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyCIAFYWOSMVWSFZ-UHFFFAOYSA-N
XLogP0.88
TPSA120.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55413086
N'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
CID 9085674
2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide
CID 9084933
N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 87028673
N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55905258
N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
CID 25485810
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55957035
2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide
CID 9088380
N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide
CID 134008602
2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide
CID 55428094
methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate
CID 55709062
4-hexoxy-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide
CID 55458088

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide (CID 9084630) is 3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide is COc1cc(C(=O)NNC(=O)Cn2ncc(=O)c3ccccc32)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide?
The InChIKey is CIAFYWOSMVWSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O6/c1-28-16-8-12(9-17(29-2)19(16)30-3)20(27)23-22-18(26)11-24-14-7-5-4-6-13(14)15(25)10-21-24/h4-10H,11H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide?
3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide has a molecular weight of 412.40 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide is sourced from PubChem (CID 9084630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).