3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one

C17H15N3O2 — CID 136721220

IUPAC3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1ccc(/C=N\n2c(C)nc3ccccc3c2=O)c(O)c1
InChIInChI=1S/C17H15N3O2/c1-11-7-8-13(16(21)9-11)10-18-20-12(2)19-15-6-4-3-5-14(15)17(20)22/h3-10,21H,1-2H3/b18-10-
InChIKeyXDKDKDHDQFTFRV-ZDLGFXPLSA-N
MW293.33 g/mol
LogP2.60
Rot. Bonds2

About 3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one

3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 136721220) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID136721220
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1ccc(/C=N\n2c(C)nc3ccccc3c2=O)c(O)c1
InChIInChI=1S/C17H15N3O2/c1-11-7-8-13(16(21)9-11)10-18-20-12(2)19-15-6-4-3-5-14(15)17(20)22/h3-10,21H,1-2H3/b18-10-
InChIKeyXDKDKDHDQFTFRV-ZDLGFXPLSA-N
XLogP2.60
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 936423
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
CID 6906270
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6908041
3-[(2,4-dibromo-6-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 3648461
2-methyl-3-[(2-nitrophenyl)methylideneamino]quinazolin-4-one
CID 880262
3-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one
CID 136736825
2-methyl-3-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]quinazolin-4-one
CID 23350657
4-methyl-2-[(Z)-(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-6-nitrophenolate
CID 6956958
3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6867165
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2643412

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one (CID 136721220) is 3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one is Cc1ccc(/C=N\n2c(C)nc3ccccc3c2=O)c(O)c1.
What is the InChIKey of 3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is XDKDKDHDQFTFRV-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-7-8-13(16(21)9-11)10-18-20-12(2)19-15-6-4-3-5-14(15)17(20)22/h3-10,21H,1-2H3/b18-10-.
What are the key properties of 3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one?
3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 293.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 136721220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).