3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one

C16H14N4O2 — CID 4888440

IUPAC3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
SMILESCC(=NNc1nc2ccccc2c(=O)n1O)c1ccccc1
InChIInChI=1S/C16H14N4O2/c1-11(12-7-3-2-4-8-12)18-19-16-17-14-10-6-5-9-13(14)15(21)20(16)22/h2-10,22H,1H3,(H,17,19)
InChIKeyIRHSZJGQXHELRJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.47
Rot. Bonds3

About 3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one

3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one (PubChem CID 4888440) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
PubChem CID4888440
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
SMILESCC(=NNc1nc2ccccc2c(=O)n1O)c1ccccc1
InChIInChI=1S/C16H14N4O2/c1-11(12-7-3-2-4-8-12)18-19-16-17-14-10-6-5-9-13(14)15(21)20(16)22/h2-10,22H,1H3,(H,17,19)
InChIKeyIRHSZJGQXHELRJ-UHFFFAOYSA-N
XLogP2.47
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.47
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'}

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Related Compounds

3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
CID 8984212
2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983439
3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one
CID 8983747
2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
CID 4897068
2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
CID 6226655
3-ethyl-2-[(2Z)-2-(1-phenylpropylidene)hydrazinyl]quinazolin-4-one
CID 8983430
3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one
CID 4911064
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
3-ethyl-2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]quinazolin-4-one
CID 8983492
4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine
CID 15352710
3-ethyl-2-[(2Z)-2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylidene]hydrazinyl]quinazolin-4-one
CID 8983966

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one?
The IUPAC name of 3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one (CID 4888440) is 3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one.
What is the SMILES notation for 3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one?
The canonical SMILES for 3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one is CC(=NNc1nc2ccccc2c(=O)n1O)c1ccccc1.
What is the InChIKey of 3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one?
The InChIKey is IRHSZJGQXHELRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11(12-7-3-2-4-8-12)18-19-16-17-14-10-6-5-9-13(14)15(21)20(16)22/h2-10,22H,1H3,(H,17,19).
What are the key properties of 3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one?
3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one has a molecular weight of 294.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one is sourced from PubChem (CID 4888440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).