2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide

C17H16N4O4 — CID 9084933

IUPAC2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)Cn2ncc(=O)c3ccccc32)c(C)o1
InChIInChI=1S/C17H16N4O4/c1-10-7-13(11(2)25-10)17(24)20-19-16(23)9-21-14-6-4-3-5-12(14)15(22)8-18-21/h3-8H,9H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyLRVDWJRYSTXAHT-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.07
Rot. Bonds3

About 2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide

2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide (PubChem CID 9084933) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide
PubChem CID9084933
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)Cn2ncc(=O)c3ccccc32)c(C)o1
InChIInChI=1S/C17H16N4O4/c1-10-7-13(11(2)25-10)17(24)20-19-16(23)9-21-14-6-4-3-5-12(14)15(22)8-18-21/h3-8H,9H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyLRVDWJRYSTXAHT-UHFFFAOYSA-N
XLogP1.07
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide
CID 9084630
2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide
CID 9088380
N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
CID 25485810
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide
CID 27019627
N'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
CID 9085674
2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide
CID 51255034
N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 47118864
N-tert-butylsulfonyl-2-(4-oxocinnolin-1-yl)acetamide
CID 167942229
2-(4-oxocinnolin-1-yl)acetate
CID 7131157
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55413086
N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide
CID 134008602

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide (CID 9084933) is 2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)Cn2ncc(=O)c3ccccc32)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide?
The InChIKey is LRVDWJRYSTXAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-10-7-13(11(2)25-10)17(24)20-19-16(23)9-21-14-6-4-3-5-12(14)15(22)8-18-21/h3-8H,9H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide?
2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide has a molecular weight of 340.34 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide is sourced from PubChem (CID 9084933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).