2-(2,4-dimethylanilino)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide

C25H24N4O3 — CID 55513954

IUPAC2-(2,4-dimethylanilino)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)c1
InChIInChI=1S/C25H24N4O3/c1-16-11-12-20(17(2)13-16)26-14-23(30)27-28-24(31)15-29-21-9-5-3-7-18(21)25(32)19-8-4-6-10-22(19)29/h3-13,26H,14-15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyMUHOHJUEHATHDR-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.03
Rot. Bonds5

About 2-(2,4-dimethylanilino)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide

2-(2,4-dimethylanilino)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide (PubChem CID 55513954) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide
PubChem CID55513954
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name2-(2,4-dimethylanilino)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)c1
InChIInChI=1S/C25H24N4O3/c1-16-11-12-20(17(2)13-16)26-14-23(30)27-28-24(31)15-29-21-9-5-3-7-18(21)25(32)19-8-4-6-10-22(19)29/h3-13,26H,14-15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyMUHOHJUEHATHDR-UHFFFAOYSA-N
XLogP3.03
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide
CID 9088380
N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide
CID 102603460
N-(2,4-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide
CID 802610
N'-[2-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide
CID 102603450
(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(2-methylphenyl)prop-2-enehydrazide
CID 9432314
N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 9432088
2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
CID 7923263
4-ethyl-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide
CID 16605618
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 45030658
N-(3-fluorophenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
CID 15993730
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 60574719
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
CID 22330285

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide?
The IUPAC name of 2-(2,4-dimethylanilino)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide (CID 55513954) is 2-(2,4-dimethylanilino)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide is Cc1ccc(NCC(=O)NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide?
The InChIKey is MUHOHJUEHATHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-16-11-12-20(17(2)13-16)26-14-23(30)27-28-24(31)15-29-21-9-5-3-7-18(21)25(32)19-8-4-6-10-22(19)29/h3-13,26H,14-15H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 2-(2,4-dimethylanilino)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide?
2-(2,4-dimethylanilino)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide has a molecular weight of 428.49 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide is sourced from PubChem (CID 55513954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).