3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one

C14H11N5O2 — CID 4911064

IUPAC3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(NN=Cc2ccncc2)n1O
InChIInChI=1S/C14H11N5O2/c20-13-11-3-1-2-4-12(11)17-14(19(13)21)18-16-9-10-5-7-15-8-6-10/h1-9,21H,(H,17,18)
InChIKeyAFMPDSIWVZPTRG-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.47
Rot. Bonds3

About 3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one

3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one (PubChem CID 4911064) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one
PubChem CID4911064
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(NN=Cc2ccncc2)n1O
InChIInChI=1S/C14H11N5O2/c20-13-11-3-1-2-4-12(11)17-14(19(13)21)18-16-9-10-5-7-15-8-6-10/h1-9,21H,(H,17,18)
InChIKeyAFMPDSIWVZPTRG-UHFFFAOYSA-N
XLogP1.47
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
CID 1383245
3-hydroxy-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 6868596
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
2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one
CID 24874427
3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
CID 4888440
2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methoxyquinazolin-4-one
CID 6863123
2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 3640022
3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 135729407
2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one
CID 4025421
3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one
CID 6074627
4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]-3H-quinazoline-2-carboxamide
CID 135691092

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one?
The IUPAC name of 3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one (CID 4911064) is 3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one.
What is the SMILES notation for 3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one?
The canonical SMILES for 3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one is O=c1c2ccccc2nc(NN=Cc2ccncc2)n1O.
What is the InChIKey of 3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one?
The InChIKey is AFMPDSIWVZPTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c20-13-11-3-1-2-4-12(11)17-14(19(13)21)18-16-9-10-5-7-15-8-6-10/h1-9,21H,(H,17,18).
What are the key properties of 3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one?
3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one has a molecular weight of 281.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one is sourced from PubChem (CID 4911064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).