2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one

C22H18N4O — CID 24874427

IUPAC2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(N/N=C/c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C22H18N4O/c1-16-9-5-8-14-20(16)26-21(27)18-12-6-7-13-19(18)24-22(26)25-23-15-17-10-3-2-4-11-17/h2-15H,1H3,(H,24,25)/b23-15+
InChIKeyHZAWXJDCOJAGTG-HZHRSRAPSA-N
MW354.41 g/mol
LogP4.14
Rot. Bonds4

About 2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one

2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one (PubChem CID 24874427) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one
PubChem CID24874427
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(N/N=C/c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C22H18N4O/c1-16-9-5-8-14-20(16)26-21(27)18-12-6-7-13-19(18)24-22(26)25-23-15-17-10-3-2-4-11-17/h2-15H,1H3,(H,24,25)/b23-15+
InChIKeyHZAWXJDCOJAGTG-HZHRSRAPSA-N
XLogP4.14
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.14
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one?
The IUPAC name of 2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one (CID 24874427) is 2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one is Cc1ccccc1-n1c(N/N=C/c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one?
The InChIKey is HZAWXJDCOJAGTG-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H18N4O/c1-16-9-5-8-14-20(16)26-21(27)18-12-6-7-13-19(18)24-22(26)25-23-15-17-10-3-2-4-11-17/h2-15H,1H3,(H,24,25)/b23-15+.
What are the key properties of 2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one?
2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one has a molecular weight of 354.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 24874427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).