3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one

C24H22N4O — CID 8984212

IUPAC3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
SMILESC/C(=N/Nc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)c1ccccc1
InChIInChI=1S/C24H22N4O/c1-16-13-14-22(17(2)15-16)28-23(29)20-11-7-8-12-21(20)25-24(28)27-26-18(3)19-9-5-4-6-10-19/h4-15H,1-3H3,(H,25,27)/b26-18-
InChIKeyDFAIETGYOPMDAQ-ITYLOYPMSA-N
MW382.47 g/mol
LogP4.84
Rot. Bonds4

About 3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one

3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one (PubChem CID 8984212) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
PubChem CID8984212
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
SMILESC/C(=N/Nc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)c1ccccc1
InChIInChI=1S/C24H22N4O/c1-16-13-14-22(17(2)15-16)28-23(29)20-11-7-8-12-21(20)25-24(28)27-26-18(3)19-9-5-4-6-10-19/h4-15H,1-3H3,(H,25,27)/b26-18-
InChIKeyDFAIETGYOPMDAQ-ITYLOYPMSA-N
XLogP4.84
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.84
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

2-[(2Z)-2-[1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylidene]hydrazinyl]-3-(2,4-dimethylphenyl)quinazolin-4-one
CID 9397404
3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
CID 4888440
3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 3756781
2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one
CID 69101971
3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one
CID 42711270
4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine
CID 15352710
3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one
CID 21143
2-[(2Z)-2-[1-(2-methoxyphenyl)ethylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6070250
2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one
CID 24874427
2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983439
3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one
CID 8983747
2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylacetamide
CID 2583903

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one?
The IUPAC name of 3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one (CID 8984212) is 3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one?
The canonical SMILES for 3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one is C/C(=N/Nc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)c1ccccc1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one?
The InChIKey is DFAIETGYOPMDAQ-ITYLOYPMSA-N. The full InChI is InChI=1S/C24H22N4O/c1-16-13-14-22(17(2)15-16)28-23(29)20-11-7-8-12-21(20)25-24(28)27-26-18(3)19-9-5-4-6-10-19/h4-15H,1-3H3,(H,25,27)/b26-18-.
What are the key properties of 3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one?
3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one has a molecular weight of 382.47 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one is sourced from PubChem (CID 8984212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).