N'-acridin-9-yl-4-hydroxybenzohydrazide

C20H15N3O2 — CID 3138566

IUPACN'-acridin-9-yl-4-hydroxybenzohydrazide
SMILESO=C(NNc1c2ccccc2nc2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C20H15N3O2/c24-14-11-9-13(10-12-14)20(25)23-22-19-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)19/h1-12,24H,(H,21,22)(H,23,25)
InChIKeyTVITVWGPKBSQHY-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.85
Rot. Bonds3

About N'-acridin-9-yl-4-hydroxybenzohydrazide

N'-acridin-9-yl-4-hydroxybenzohydrazide (PubChem CID 3138566) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N'-acridin-9-yl-4-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-acridin-9-yl-4-hydroxybenzohydrazide
PubChem CID3138566
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC NameN'-acridin-9-yl-4-hydroxybenzohydrazide
SMILESO=C(NNc1c2ccccc2nc2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C20H15N3O2/c24-14-11-9-13(10-12-14)20(25)23-22-19-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)19/h1-12,24H,(H,21,22)(H,23,25)
InChIKeyTVITVWGPKBSQHY-UHFFFAOYSA-N
XLogP3.85
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-4-hydroxybenzohydrazide?
The IUPAC name of N'-acridin-9-yl-4-hydroxybenzohydrazide (CID 3138566) is N'-acridin-9-yl-4-hydroxybenzohydrazide.
What is the SMILES notation for N'-acridin-9-yl-4-hydroxybenzohydrazide?
The canonical SMILES for N'-acridin-9-yl-4-hydroxybenzohydrazide is O=C(NNc1c2ccccc2nc2ccccc12)c1ccc(O)cc1.
What is the InChIKey of N'-acridin-9-yl-4-hydroxybenzohydrazide?
The InChIKey is TVITVWGPKBSQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-14-11-9-13(10-12-14)20(25)23-22-19-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)19/h1-12,24H,(H,21,22)(H,23,25).
What are the key properties of N'-acridin-9-yl-4-hydroxybenzohydrazide?
N'-acridin-9-yl-4-hydroxybenzohydrazide has a molecular weight of 329.36 g/mol, XLogP of 3.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acridin-9-yl-4-hydroxybenzohydrazide is sourced from PubChem (CID 3138566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).