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

C23H20N4O — CID 16720961

IUPAC3-(3-methylphenyl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]quinazolin-4-one
SMILESCc1cccc(-n2c(N/N=C/c3ccccc3C)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H20N4O/c1-16-8-7-11-19(14-16)27-22(28)20-12-5-6-13-21(20)25-23(27)26-24-15-18-10-4-3-9-17(18)2/h3-15H,1-2H3,(H,25,26)/b24-15+
InChIKeyKDNUCDZIQKZWQY-BUVRLJJBSA-N
MW368.44 g/mol
LogP4.45
Rot. Bonds4

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

3-(3-methylphenyl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]quinazolin-4-one (PubChem CID 16720961) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-(3-methylphenyl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]quinazolin-4-one
PubChem CID16720961
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name3-(3-methylphenyl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]quinazolin-4-one
SMILESCc1cccc(-n2c(N/N=C/c3ccccc3C)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H20N4O/c1-16-8-7-11-19(14-16)27-22(28)20-12-5-6-13-21(20)25-23(27)26-24-15-18-10-4-3-9-17(18)2/h3-15H,1-2H3,(H,25,26)/b24-15+
InChIKeyKDNUCDZIQKZWQY-BUVRLJJBSA-N
XLogP4.45
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.45
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-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6513719
2-[(2Z)-2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
CID 6226655
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
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
3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one
CID 6074627
3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
CID 2928566
3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
CID 8984212
3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one
CID 722908
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-3-(3-methylphenyl)quinazolin-4-one
CID 20966987
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]quinazolin-4-one?
The IUPAC name of 3-(3-methylphenyl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]quinazolin-4-one (CID 16720961) is 3-(3-methylphenyl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-methylphenyl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]quinazolin-4-one?
The canonical SMILES for 3-(3-methylphenyl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]quinazolin-4-one is Cc1cccc(-n2c(N/N=C/c3ccccc3C)nc3ccccc3c2=O)c1.
What is the InChIKey of 3-(3-methylphenyl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]quinazolin-4-one?
The InChIKey is KDNUCDZIQKZWQY-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H20N4O/c1-16-8-7-11-19(14-16)27-22(28)20-12-5-6-13-21(20)25-23(27)26-24-15-18-10-4-3-9-17(18)2/h3-15H,1-2H3,(H,25,26)/b24-15+.
What are the key properties of 3-(3-methylphenyl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]quinazolin-4-one?
3-(3-methylphenyl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]quinazolin-4-one has a molecular weight of 368.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]quinazolin-4-one is sourced from PubChem (CID 16720961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).