N'-acridin-9-yl-2,4-dihydroxybenzohydrazide

C20H15N3O3 — CID 4072379

IUPACN'-acridin-9-yl-2,4-dihydroxybenzohydrazide
SMILESO=C(NNc1c2ccccc2nc2ccccc12)c1ccc(O)cc1O
InChIInChI=1S/C20H15N3O3/c24-12-9-10-15(18(25)11-12)20(26)23-22-19-13-5-1-3-7-16(13)21-17-8-4-2-6-14(17)19/h1-11,24-25H,(H,21,22)(H,23,26)
InChIKeyXJFIZXJHVSKWAV-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.56
Rot. Bonds3

About N'-acridin-9-yl-2,4-dihydroxybenzohydrazide

N'-acridin-9-yl-2,4-dihydroxybenzohydrazide (PubChem CID 4072379) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is N'-acridin-9-yl-2,4-dihydroxybenzohydrazide.

Molecular Properties

Compound NameN'-acridin-9-yl-2,4-dihydroxybenzohydrazide
PubChem CID4072379
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC NameN'-acridin-9-yl-2,4-dihydroxybenzohydrazide
SMILESO=C(NNc1c2ccccc2nc2ccccc12)c1ccc(O)cc1O
InChIInChI=1S/C20H15N3O3/c24-12-9-10-15(18(25)11-12)20(26)23-22-19-13-5-1-3-7-16(13)21-17-8-4-2-6-14(17)19/h1-11,24-25H,(H,21,22)(H,23,26)
InChIKeyXJFIZXJHVSKWAV-UHFFFAOYSA-N
XLogP3.56
TPSA94.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'-acridin-9-yl-2,4-dihydroxybenzohydrazide?
The IUPAC name of N'-acridin-9-yl-2,4-dihydroxybenzohydrazide (CID 4072379) is N'-acridin-9-yl-2,4-dihydroxybenzohydrazide.
What is the SMILES notation for N'-acridin-9-yl-2,4-dihydroxybenzohydrazide?
The canonical SMILES for N'-acridin-9-yl-2,4-dihydroxybenzohydrazide is O=C(NNc1c2ccccc2nc2ccccc12)c1ccc(O)cc1O.
What is the InChIKey of N'-acridin-9-yl-2,4-dihydroxybenzohydrazide?
The InChIKey is XJFIZXJHVSKWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-12-9-10-15(18(25)11-12)20(26)23-22-19-13-5-1-3-7-16(13)21-17-8-4-2-6-14(17)19/h1-11,24-25H,(H,21,22)(H,23,26).
What are the key properties of N'-acridin-9-yl-2,4-dihydroxybenzohydrazide?
N'-acridin-9-yl-2,4-dihydroxybenzohydrazide has a molecular weight of 345.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acridin-9-yl-2,4-dihydroxybenzohydrazide is sourced from PubChem (CID 4072379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).