N'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide

C23H21N3O4 — CID 3138565

IUPACN'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNc2c3ccccc3nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C23H21N3O4/c1-28-19-12-14(13-20(29-2)22(19)30-3)23(27)26-25-21-15-8-4-6-10-17(15)24-18-11-7-5-9-16(18)21/h4-13H,1-3H3,(H,24,25)(H,26,27)
InChIKeyCUCQDEWWIWYGFW-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.17
Rot. Bonds6

About N'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide

N'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide (PubChem CID 3138565) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide
PubChem CID3138565
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNc2c3ccccc3nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C23H21N3O4/c1-28-19-12-14(13-20(29-2)22(19)30-3)23(27)26-25-21-15-8-4-6-10-17(15)24-18-11-7-5-9-16(18)21/h4-13H,1-3H3,(H,24,25)(H,26,27)
InChIKeyCUCQDEWWIWYGFW-UHFFFAOYSA-N
XLogP4.17
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide
CID 24540316
3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide
CID 3339295
(E)-3-acridin-9-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 163359166
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 9399555
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide
CID 122303589
N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455105
3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4938028
3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide
CID 2117105
N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2117359

Frequently Asked Questions

What is the IUPAC name of N'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide?
The IUPAC name of N'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide (CID 3138565) is N'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide.
What is the SMILES notation for N'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide?
The canonical SMILES for N'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide is COc1cc(C(=O)NNc2c3ccccc3nc3ccccc23)cc(OC)c1OC.
What is the InChIKey of N'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide?
The InChIKey is CUCQDEWWIWYGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-28-19-12-14(13-20(29-2)22(19)30-3)23(27)26-25-21-15-8-4-6-10-17(15)24-18-11-7-5-9-16(18)21/h4-13H,1-3H3,(H,24,25)(H,26,27).
What are the key properties of N'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide?
N'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide has a molecular weight of 403.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide is sourced from PubChem (CID 3138565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).