N'-(3,4-dimethylacridin-9-yl)-3-methylbenzohydrazide

C23H21N3O — CID 25066229

IUPACN'-(3,4-dimethylacridin-9-yl)-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNc2c3ccccc3nc3c(C)c(C)ccc23)c1
InChIInChI=1S/C23H21N3O/c1-14-7-6-8-17(13-14)23(27)26-25-22-18-9-4-5-10-20(18)24-21-16(3)15(2)11-12-19(21)22/h4-13H,1-3H3,(H,24,25)(H,26,27)
InChIKeyOJUUVRQHCLTVOX-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.07
Rot. Bonds3

About N'-(3,4-dimethylacridin-9-yl)-3-methylbenzohydrazide

N'-(3,4-dimethylacridin-9-yl)-3-methylbenzohydrazide (PubChem CID 25066229) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N'-(3,4-dimethylacridin-9-yl)-3-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(3,4-dimethylacridin-9-yl)-3-methylbenzohydrazide
PubChem CID25066229
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN'-(3,4-dimethylacridin-9-yl)-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNc2c3ccccc3nc3c(C)c(C)ccc23)c1
InChIInChI=1S/C23H21N3O/c1-14-7-6-8-17(13-14)23(27)26-25-22-18-9-4-5-10-20(18)24-21-16(3)15(2)11-12-19(21)22/h4-13H,1-3H3,(H,24,25)(H,26,27)
InChIKeyOJUUVRQHCLTVOX-UHFFFAOYSA-N
XLogP5.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylacridin-9-yl)-3-methylbenzohydrazide?
The IUPAC name of N'-(3,4-dimethylacridin-9-yl)-3-methylbenzohydrazide (CID 25066229) is N'-(3,4-dimethylacridin-9-yl)-3-methylbenzohydrazide.
What is the SMILES notation for N'-(3,4-dimethylacridin-9-yl)-3-methylbenzohydrazide?
The canonical SMILES for N'-(3,4-dimethylacridin-9-yl)-3-methylbenzohydrazide is Cc1cccc(C(=O)NNc2c3ccccc3nc3c(C)c(C)ccc23)c1.
What is the InChIKey of N'-(3,4-dimethylacridin-9-yl)-3-methylbenzohydrazide?
The InChIKey is OJUUVRQHCLTVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-14-7-6-8-17(13-14)23(27)26-25-22-18-9-4-5-10-20(18)24-21-16(3)15(2)11-12-19(21)22/h4-13H,1-3H3,(H,24,25)(H,26,27).
What are the key properties of N'-(3,4-dimethylacridin-9-yl)-3-methylbenzohydrazide?
N'-(3,4-dimethylacridin-9-yl)-3-methylbenzohydrazide has a molecular weight of 355.44 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylacridin-9-yl)-3-methylbenzohydrazide is sourced from PubChem (CID 25066229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).