2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one

C15H11ClN4O2 — CID 4897068

IUPAC2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
SMILESO=c1c2ccccc2nc(NN=Cc2ccccc2Cl)n1O
InChIInChI=1S/C15H11ClN4O2/c16-12-7-3-1-5-10(12)9-17-19-15-18-13-8-4-2-6-11(13)14(21)20(15)22/h1-9,22H,(H,18,19)
InChIKeyTYIUJXMQKUTAJB-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.73
Rot. Bonds3

About 2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one

2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one (PubChem CID 4897068) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
PubChem CID4897068
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC Name2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
SMILESO=c1c2ccccc2nc(NN=Cc2ccccc2Cl)n1O
InChIInChI=1S/C15H11ClN4O2/c16-12-7-3-1-5-10(12)9-17-19-15-18-13-8-4-2-6-11(13)14(21)20(15)22/h1-9,22H,(H,18,19)
InChIKeyTYIUJXMQKUTAJB-UHFFFAOYSA-N
XLogP2.73
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.73
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

2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
CID 6226655
3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one
CID 4911064
3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 23625621
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
3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
CID 4888440
N-[(E)-(2-chlorophenyl)methylideneamino]-2-methyl-4-oxoquinazoline-3-carboxamide
CID 10497390
2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6513719
2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one
CID 4672416
2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 3640022
2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 135729404
2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 135822277

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one?
The IUPAC name of 2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one (CID 4897068) is 2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one is O=c1c2ccccc2nc(NN=Cc2ccccc2Cl)n1O.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one?
The InChIKey is TYIUJXMQKUTAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c16-12-7-3-1-5-10(12)9-17-19-15-18-13-8-4-2-6-11(13)14(21)20(15)22/h1-9,22H,(H,18,19).
What are the key properties of 2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one?
2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one has a molecular weight of 314.73 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one is sourced from PubChem (CID 4897068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).