4-hexoxy-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide

C24H28N4O4 — CID 55458088

IUPAC4-hexoxy-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)CCn2ncc(=O)c3ccccc32)cc1
InChIInChI=1S/C24H28N4O4/c1-2-3-4-7-16-32-19-12-10-18(11-13-19)24(31)27-26-23(30)14-15-28-21-9-6-5-8-20(21)22(29)17-25-28/h5-6,8-13,17H,2-4,7,14-16H2,1H3,(H,26,30)(H,27,31)
InChIKeyFSNXOVFOQUBLQT-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.21
Rot. Bonds10

About 4-hexoxy-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide

4-hexoxy-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide (PubChem CID 55458088) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 4-hexoxy-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-hexoxy-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide
PubChem CID55458088
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name4-hexoxy-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)CCn2ncc(=O)c3ccccc32)cc1
InChIInChI=1S/C24H28N4O4/c1-2-3-4-7-16-32-19-12-10-18(11-13-19)24(31)27-26-23(30)14-15-28-21-9-6-5-8-20(21)22(29)17-25-28/h5-6,8-13,17H,2-4,7,14-16H2,1H3,(H,26,30)(H,27,31)
InChIKeyFSNXOVFOQUBLQT-UHFFFAOYSA-N
XLogP3.21
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
N'-[3-(4-oxocinnolin-1-yl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 55438924
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 46423810
2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide
CID 51255034
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 29264757
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326
4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide
CID 4933802
N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide
CID 162371332
N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 27672476

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide?
The IUPAC name of 4-hexoxy-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide (CID 55458088) is 4-hexoxy-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 4-hexoxy-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide?
The canonical SMILES for 4-hexoxy-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)CCn2ncc(=O)c3ccccc32)cc1.
What is the InChIKey of 4-hexoxy-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide?
The InChIKey is FSNXOVFOQUBLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-2-3-4-7-16-32-19-12-10-18(11-13-19)24(31)27-26-23(30)14-15-28-21-9-6-5-8-20(21)22(29)17-25-28/h5-6,8-13,17H,2-4,7,14-16H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 4-hexoxy-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide?
4-hexoxy-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide has a molecular weight of 436.51 g/mol, XLogP of 3.21, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 55458088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).