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

C17H15N3O2 — CID 936423

IUPAC3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1cccc(C=Nn2c(C)nc3ccccc3c2=O)c1O
InChIInChI=1S/C17H15N3O2/c1-11-6-5-7-13(16(11)21)10-18-20-12(2)19-15-9-4-3-8-14(15)17(20)22/h3-10,21H,1-2H3
InChIKeyRKSHCOMBIKBMCH-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.60
Rot. Bonds2

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

3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 936423) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID936423
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1cccc(C=Nn2c(C)nc3ccccc3c2=O)c1O
InChIInChI=1S/C17H15N3O2/c1-11-6-5-7-13(16(11)21)10-18-20-12(2)19-15-9-4-3-8-14(15)17(20)22/h3-10,21H,1-2H3
InChIKeyRKSHCOMBIKBMCH-UHFFFAOYSA-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-propylquinazolin-4-one
CID 936802
3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6908041
3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 136721220
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6867165
2-methyl-3-[(2-nitrophenyl)methylideneamino]quinazolin-4-one
CID 880262
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
CID 6906270
3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 135549874
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
2-methyl-3-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one
CID 136736737
3-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135452571
3-[(2,4-dibromo-6-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 3648461

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one (CID 936423) is 3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one is Cc1cccc(C=Nn2c(C)nc3ccccc3c2=O)c1O.
What is the InChIKey of 3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is RKSHCOMBIKBMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-6-5-7-13(16(11)21)10-18-20-12(2)19-15-9-4-3-8-14(15)17(20)22/h3-10,21H,1-2H3.
What are the key properties of 3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one?
3-[(2-hydroxy-3-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-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 936423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).