3-hydroxy-2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]quinazolin-4-one

C19H14N4O3 — CID 135510946

IUPAC3-hydroxy-2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(N/N=C/c2c(O)ccc3ccccc23)n1O
InChIInChI=1S/C19H14N4O3/c24-17-10-9-12-5-1-2-6-13(12)15(17)11-20-22-19-21-16-8-4-3-7-14(16)18(25)23(19)26/h1-11,24,26H,(H,21,22)/b20-11+
InChIKeyCJYCDMVJYJXMEA-RGVLZGJSSA-N
MW346.35 g/mol
LogP2.94
Rot. Bonds3

About 3-hydroxy-2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]quinazolin-4-one

3-hydroxy-2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]quinazolin-4-one (PubChem CID 135510946) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 3-hydroxy-2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]quinazolin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]quinazolin-4-one
PubChem CID135510946
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name3-hydroxy-2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(N/N=C/c2c(O)ccc3ccccc23)n1O
InChIInChI=1S/C19H14N4O3/c24-17-10-9-12-5-1-2-6-13(12)15(17)11-20-22-19-21-16-8-4-3-7-14(16)18(25)23(19)26/h1-11,24,26H,(H,21,22)/b20-11+
InChIKeyCJYCDMVJYJXMEA-RGVLZGJSSA-N
XLogP2.94
TPSA99.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-hydroxy-2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)quinazolin-4-one
CID 86294869
(E)-3-(((2-hydroxynaphthalen-1-yl)methylene)amino)-2-methylquinazolin-4(3H)-one
CID 135443059
4-Hydroxybenzaldehyde (4-oxo-3,4-dihydro-2-quinazolinyl)hydrazone
CID 135425002
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide
CID 135517152
3-(((1-Hydroxynaphthalen-2-yl)methylene)amino)-2-methylquinazolin-4(3H)-one
CID 135549771
Benzoic acid, 2-amino-, 2-[(2-hydroxy-1-naphthalenyl)methylene]hydrazide
CID 135770382
3-hydroxy-2-[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]quinazolin-4(3H)-one
CID 135510950
Benzamide, 2-[[(2-hydroxy-1-naphthalenyl)methylene]amino]-
CID 794564
N-Methylanthranilic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135491084
3-((1-Hydroxy-naphthalen-2-ylmethylene)-amino)-2-methyl-3H-quinazolin-4-one
CID 136632206
N'-[(2-hydroxy-1-naphthyl)methylene]-2-nitrobenzohydrazide
CID 135514374
2-(4-hydroxy-1-naphthyl)-3H-quinazolin-4-one
CID 136259865

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]quinazolin-4-one?
The IUPAC name of 3-hydroxy-2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]quinazolin-4-one (CID 135510946) is 3-hydroxy-2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]quinazolin-4-one.
What is the SMILES notation for 3-hydroxy-2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]quinazolin-4-one?
The canonical SMILES for 3-hydroxy-2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]quinazolin-4-one is O=c1c2ccccc2nc(N/N=C/c2c(O)ccc3ccccc23)n1O.
What is the InChIKey of 3-hydroxy-2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]quinazolin-4-one?
The InChIKey is CJYCDMVJYJXMEA-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H14N4O3/c24-17-10-9-12-5-1-2-6-13(12)15(17)11-20-22-19-21-16-8-4-3-7-14(16)18(25)23(19)26/h1-11,24,26H,(H,21,22)/b20-11+.
What are the key properties of 3-hydroxy-2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]quinazolin-4-one?
3-hydroxy-2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]quinazolin-4-one has a molecular weight of 346.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]quinazolin-4-one is sourced from PubChem (CID 135510946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).