2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one

C17H16N4O2 — CID 6226655

IUPAC2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
SMILESCc1ccc(C)c(/C=N\Nc2nc3ccccc3c(=O)n2O)c1
InChIInChI=1S/C17H16N4O2/c1-11-7-8-12(2)13(9-11)10-18-20-17-19-15-6-4-3-5-14(15)16(22)21(17)23/h3-10,23H,1-2H3,(H,19,20)/b18-10-
InChIKeyIUDQGBJMAKMHPJ-ZDLGFXPLSA-N
MW308.34 g/mol
LogP2.70
Rot. Bonds3

About 2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one

2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one (PubChem CID 6226655) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
PubChem CID6226655
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
SMILESCc1ccc(C)c(/C=N\Nc2nc3ccccc3c(=O)n2O)c1
InChIInChI=1S/C17H16N4O2/c1-11-7-8-12(2)13(9-11)10-18-20-17-19-15-6-4-3-5-14(15)16(22)21(17)23/h3-10,23H,1-2H3,(H,19,20)/b18-10-
InChIKeyIUDQGBJMAKMHPJ-ZDLGFXPLSA-N
XLogP2.70
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-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

2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
CID 4897068
3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one
CID 4911064
3-(3-methylphenyl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 16720961
3-hydroxy-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 6868596
2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
CID 1383245
2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6513719
3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
CID 4888440
2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one
CID 24874427
3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 135729407
3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
CID 8984212
2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 135822277
2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 135729404

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one?
The IUPAC name of 2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one (CID 6226655) is 2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one.
What is the SMILES notation for 2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one?
The canonical SMILES for 2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one is Cc1ccc(C)c(/C=N\Nc2nc3ccccc3c(=O)n2O)c1.
What is the InChIKey of 2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one?
The InChIKey is IUDQGBJMAKMHPJ-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-7-8-12(2)13(9-11)10-18-20-17-19-15-6-4-3-5-14(15)16(22)21(17)23/h3-10,23H,1-2H3,(H,19,20)/b18-10-.
What are the key properties of 2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one?
2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one has a molecular weight of 308.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one is sourced from PubChem (CID 6226655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).