N'-[3-(4-oxocinnolin-1-yl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide

C23H20N4O5 — CID 55438924

IUPACN'-[3-(4-oxocinnolin-1-yl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(CCn1ncc(=O)c2ccccc21)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C23H20N4O5/c28-20-14-24-27(19-9-5-4-8-18(19)20)13-12-22(29)25-26-23(30)21-11-10-17(32-21)15-31-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,25,29)(H,26,30)
InChIKeyPYSYASOVUBKIRU-UHFFFAOYSA-N
MW432.44 g/mol
LogP2.42
Rot. Bonds7

About N'-[3-(4-oxocinnolin-1-yl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide

N'-[3-(4-oxocinnolin-1-yl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 55438924) has the molecular formula C23H20N4O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is N'-[3-(4-oxocinnolin-1-yl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(4-oxocinnolin-1-yl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID55438924
Molecular FormulaC23H20N4O5
Molecular Weight432.44 g/mol
Exact Mass432.14
IUPAC NameN'-[3-(4-oxocinnolin-1-yl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(CCn1ncc(=O)c2ccccc21)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C23H20N4O5/c28-20-14-24-27(19-9-5-4-8-18(19)20)13-12-22(29)25-26-23(30)21-11-10-17(32-21)15-31-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,25,29)(H,26,30)
InChIKeyPYSYASOVUBKIRU-UHFFFAOYSA-N
XLogP2.42
TPSA115.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-oxocinnolin-1-yl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-[3-(4-oxocinnolin-1-yl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide (CID 55438924) is N'-[3-(4-oxocinnolin-1-yl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-[3-(4-oxocinnolin-1-yl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-[3-(4-oxocinnolin-1-yl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide is O=C(CCn1ncc(=O)c2ccccc21)NNC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of N'-[3-(4-oxocinnolin-1-yl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is PYSYASOVUBKIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5/c28-20-14-24-27(19-9-5-4-8-18(19)20)13-12-22(29)25-26-23(30)21-11-10-17(32-21)15-31-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,25,29)(H,26,30).
What are the key properties of N'-[3-(4-oxocinnolin-1-yl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-[3-(4-oxocinnolin-1-yl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 432.44 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-oxocinnolin-1-yl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 55438924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).