3-[(E)-(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one

C21H18N4O5 — CID 135751887

IUPAC3-[(E)-(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one
SMILESCOc1cc2nc(C)n(/N=C/c3nc(-c4ccccc4)oc3O)c(=O)c2cc1OC
InChIInChI=1S/C21H18N4O5/c1-12-23-15-10-18(29-3)17(28-2)9-14(15)20(26)25(12)22-11-16-21(27)30-19(24-16)13-7-5-4-6-8-13/h4-11,27H,1-3H3/b22-11+
InChIKeyMYBIGCNGUVCOSZ-SSDVNMTOSA-N
MW406.40 g/mol
LogP2.96
Rot. Bonds5

About 3-[(E)-(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one

3-[(E)-(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one (PubChem CID 135751887) has the molecular formula C21H18N4O5 and a molecular weight of 406.40 g/mol. Its IUPAC name is 3-[(E)-(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one
PubChem CID135751887
Molecular FormulaC21H18N4O5
Molecular Weight406.40 g/mol
Exact Mass406.13
IUPAC Name3-[(E)-(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one
SMILESCOc1cc2nc(C)n(/N=C/c3nc(-c4ccccc4)oc3O)c(=O)c2cc1OC
InChIInChI=1S/C21H18N4O5/c1-12-23-15-10-18(29-3)17(28-2)9-14(15)20(26)25(12)22-11-16-21(27)30-19(24-16)13-7-5-4-6-8-13/h4-11,27H,1-3H3/b22-11+
InChIKeyMYBIGCNGUVCOSZ-SSDVNMTOSA-N
XLogP2.96
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one
CID 135821827
6,7-dimethoxy-2-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinazolin-4-one
CID 4516911
3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6867165
3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one
CID 5423325
3-[(E)-(3-tert-butyl-2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one
CID 135822423
3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2643412
4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 135420862
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 3298098
3-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 5209778
6,7-dimethoxy-2-methyl-3-(1-pyridin-4-ylethylideneamino)quinazolin-4-one
CID 933441
[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-6-methoxyphenyl] acetate
CID 126299728
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135770164

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one?
The IUPAC name of 3-[(E)-(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one (CID 135751887) is 3-[(E)-(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(E)-(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(E)-(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one is COc1cc2nc(C)n(/N=C/c3nc(-c4ccccc4)oc3O)c(=O)c2cc1OC.
What is the InChIKey of 3-[(E)-(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one?
The InChIKey is MYBIGCNGUVCOSZ-SSDVNMTOSA-N. The full InChI is InChI=1S/C21H18N4O5/c1-12-23-15-10-18(29-3)17(28-2)9-14(15)20(26)25(12)22-11-16-21(27)30-19(24-16)13-7-5-4-6-8-13/h4-11,27H,1-3H3/b22-11+.
What are the key properties of 3-[(E)-(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one?
3-[(E)-(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one has a molecular weight of 406.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one is sourced from PubChem (CID 135751887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).