2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one

C21H14Cl2N4O — CID 3640022

IUPAC2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(NN=Cc2ccc(Cl)c(Cl)c2)n1-c1ccccc1
InChIInChI=1S/C21H14Cl2N4O/c22-17-11-10-14(12-18(17)23)13-24-26-21-25-19-9-5-4-8-16(19)20(28)27(21)15-6-2-1-3-7-15/h1-13H,(H,25,26)
InChIKeySAGGHBCPWAVATQ-UHFFFAOYSA-N
MW409.28 g/mol
LogP5.14
Rot. Bonds4

About 2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one

2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one (PubChem CID 3640022) has the molecular formula C21H14Cl2N4O and a molecular weight of 409.28 g/mol. Its IUPAC name is 2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
PubChem CID3640022
Molecular FormulaC21H14Cl2N4O
Molecular Weight409.28 g/mol
Exact Mass408.05
IUPAC Name2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(NN=Cc2ccc(Cl)c(Cl)c2)n1-c1ccccc1
InChIInChI=1S/C21H14Cl2N4O/c22-17-11-10-14(12-18(17)23)13-24-26-21-25-19-9-5-4-8-16(19)20(28)27(21)15-6-2-1-3-7-15/h1-13H,(H,25,26)
InChIKeySAGGHBCPWAVATQ-UHFFFAOYSA-N
XLogP5.14
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.28
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one
CID 6074627
2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6513719
2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 135822277
ethyl 2-[2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-4-oxoquinazolin-3-yl]oxyacetate
CID 1414830
2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one
CID 24874427
2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6511521
3-(3-methylphenyl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 16720961
2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
CID 4897068
2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
CID 1383245
2-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1-phenylquinazolin-4-one
CID 137060081
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one (CID 3640022) is 2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one is O=c1c2ccccc2nc(NN=Cc2ccc(Cl)c(Cl)c2)n1-c1ccccc1.
What is the InChIKey of 2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one?
The InChIKey is SAGGHBCPWAVATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N4O/c22-17-11-10-14(12-18(17)23)13-24-26-21-25-19-9-5-4-8-16(19)20(28)27(21)15-6-2-1-3-7-15/h1-13H,(H,25,26).
What are the key properties of 2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one?
2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one has a molecular weight of 409.28 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 3640022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).