2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide

C20H21N5O3 — CID 9088380

IUPAC2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)Cn2ncc(=O)c3ccccc32)c(C)c1
InChIInChI=1S/C20H21N5O3/c1-13-7-8-16(14(2)9-13)21-11-19(27)23-24-20(28)12-25-17-6-4-3-5-15(17)18(26)10-22-25/h3-10,21H,11-12H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyNUWUCIFZNNGWLT-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.27
Rot. Bonds5

About 2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide

2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide (PubChem CID 9088380) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide
PubChem CID9088380
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)Cn2ncc(=O)c3ccccc32)c(C)c1
InChIInChI=1S/C20H21N5O3/c1-13-7-8-16(14(2)9-13)21-11-19(27)23-24-20(28)12-25-17-6-4-3-5-15(17)18(26)10-22-25/h3-10,21H,11-12H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyNUWUCIFZNNGWLT-UHFFFAOYSA-N
XLogP1.27
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethylanilino)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide
CID 55513954
N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 87028673
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55413086
2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide
CID 9084933
N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
CID 25485810
3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide
CID 9084630
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate
CID 55444106
N-tert-butylsulfonyl-2-(4-oxocinnolin-1-yl)acetamide
CID 167942229
N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide
CID 102603460
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
N'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
CID 9085674
N-(4-iodo-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 55439085

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide?
The IUPAC name of 2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide (CID 9088380) is 2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide is Cc1ccc(NCC(=O)NNC(=O)Cn2ncc(=O)c3ccccc32)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide?
The InChIKey is NUWUCIFZNNGWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-7-8-16(14(2)9-13)21-11-19(27)23-24-20(28)12-25-17-6-4-3-5-15(17)18(26)10-22-25/h3-10,21H,11-12H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide?
2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide has a molecular weight of 379.42 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide is sourced from PubChem (CID 9088380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).