2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one

C22H18N4O — CID 6513719

IUPAC2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
SMILESCc1ccccc1/C=N\Nc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C22H18N4O/c1-16-9-5-6-10-17(16)15-23-25-22-24-20-14-8-7-13-19(20)21(27)26(22)18-11-3-2-4-12-18/h2-15H,1H3,(H,24,25)/b23-15-
InChIKeyMDMNCKWKRCKWCE-HAHDFKILSA-N
MW354.41 g/mol
LogP4.14
Rot. Bonds4

About 2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one

2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one (PubChem CID 6513719) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
PubChem CID6513719
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
SMILESCc1ccccc1/C=N\Nc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C22H18N4O/c1-16-9-5-6-10-17(16)15-23-25-22-24-20-14-8-7-13-19(20)21(27)26(22)18-11-3-2-4-12-18/h2-15H,1H3,(H,24,25)/b23-15-
InChIKeyMDMNCKWKRCKWCE-HAHDFKILSA-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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Related Compounds

3-(3-methylphenyl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 16720961
2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 135822277
2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one
CID 24874427
3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one
CID 6074627
2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6511521
2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 3640022
2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
CID 6226655
3-phenyl-2-(propan-2-ylamino)quinazolin-4-one
CID 11011362
2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
CID 4897068
2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 6880279
2-[(2Z)-2-[1-(2-methoxyphenyl)ethylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6070250
2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one
CID 4672416

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one (CID 6513719) is 2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one is Cc1ccccc1/C=N\Nc1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one?
The InChIKey is MDMNCKWKRCKWCE-HAHDFKILSA-N. The full InChI is InChI=1S/C22H18N4O/c1-16-9-5-6-10-17(16)15-23-25-22-24-20-14-8-7-13-19(20)21(27)26(22)18-11-3-2-4-12-18/h2-15H,1H3,(H,24,25)/b23-15-.
What are the key properties of 2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one?
2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-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-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 6513719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).