2-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1-phenylquinazolin-4-one

C21H14Cl2N4O2 — CID 137060081

IUPAC2-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1-phenylquinazolin-4-one
SMILESO=c1nc(N/N=C\c2cc(Cl)cc(Cl)c2O)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C21H14Cl2N4O2/c22-14-10-13(19(28)17(23)11-14)12-24-26-21-25-20(29)16-8-4-5-9-18(16)27(21)15-6-2-1-3-7-15/h1-12,28H,(H,25,26,29)/b24-12-
InChIKeyHZNIHOYMWPKJIC-MSXFZWOLSA-N
MW425.28 g/mol
LogP4.84
Rot. Bonds4

About 2-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1-phenylquinazolin-4-one

2-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1-phenylquinazolin-4-one (PubChem CID 137060081) has the molecular formula C21H14Cl2N4O2 and a molecular weight of 425.28 g/mol. Its IUPAC name is 2-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1-phenylquinazolin-4-one
PubChem CID137060081
Molecular FormulaC21H14Cl2N4O2
Molecular Weight425.28 g/mol
Exact Mass424.05
IUPAC Name2-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1-phenylquinazolin-4-one
SMILESO=c1nc(N/N=C\c2cc(Cl)cc(Cl)c2O)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C21H14Cl2N4O2/c22-14-10-13(19(28)17(23)11-14)12-24-26-21-25-20(29)16-8-4-5-9-18(16)27(21)15-6-2-1-3-7-15/h1-12,28H,(H,25,26,29)/b24-12-
InChIKeyHZNIHOYMWPKJIC-MSXFZWOLSA-N
XLogP4.84
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 3640022
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135457607
2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 135822277
2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6513719
2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135892476
2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol
CID 135421739
2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 3698846
2,4-dichloro-6-[(E)-[(4-sulfanylphenyl)hydrazinylidene]methyl]phenol
CID 143199865
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 615778
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
CID 137127853
2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 135729404
2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6511521

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1-phenylquinazolin-4-one?
The IUPAC name of 2-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1-phenylquinazolin-4-one (CID 137060081) is 2-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1-phenylquinazolin-4-one?
The canonical SMILES for 2-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1-phenylquinazolin-4-one is O=c1nc(N/N=C\c2cc(Cl)cc(Cl)c2O)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of 2-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1-phenylquinazolin-4-one?
The InChIKey is HZNIHOYMWPKJIC-MSXFZWOLSA-N. The full InChI is InChI=1S/C21H14Cl2N4O2/c22-14-10-13(19(28)17(23)11-14)12-24-26-21-25-20(29)16-8-4-5-9-18(16)27(21)15-6-2-1-3-7-15/h1-12,28H,(H,25,26,29)/b24-12-.
What are the key properties of 2-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1-phenylquinazolin-4-one?
2-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1-phenylquinazolin-4-one has a molecular weight of 425.28 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1-phenylquinazolin-4-one is sourced from PubChem (CID 137060081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).