6,7-dimethoxy-2-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinazolin-4-one

C22H25N3O6 — CID 4516911

IUPAC6,7-dimethoxy-2-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinazolin-4-one
SMILESCOc1cc2nc(C)n(N=C(C)c3cc(OC)c(OC)c(OC)c3)c(=O)c2cc1OC
InChIInChI=1S/C22H25N3O6/c1-12(14-8-19(29-5)21(31-7)20(9-14)30-6)24-25-13(2)23-16-11-18(28-4)17(27-3)10-15(16)22(25)26/h8-11H,1-7H3
InChIKeyALSSEVMWKKXCFB-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.02
Rot. Bonds7

About 6,7-dimethoxy-2-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinazolin-4-one

6,7-dimethoxy-2-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinazolin-4-one (PubChem CID 4516911) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinazolin-4-one
PubChem CID4516911
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC Name6,7-dimethoxy-2-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinazolin-4-one
SMILESCOc1cc2nc(C)n(N=C(C)c3cc(OC)c(OC)c(OC)c3)c(=O)c2cc1OC
InChIInChI=1S/C22H25N3O6/c1-12(14-8-19(29-5)21(31-7)20(9-14)30-6)24-25-13(2)23-16-11-18(28-4)17(27-3)10-15(16)22(25)26/h8-11H,1-7H3
InChIKeyALSSEVMWKKXCFB-UHFFFAOYSA-N
XLogP3.02
TPSA93.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethoxy-2-methyl-3-(1-pyridin-4-ylethylideneamino)quinazolin-4-one
CID 933441
3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one
CID 135821827
3-[(E)-(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one
CID 135751887
6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one
CID 808669
7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one
CID 134112398
3-[(E)-(3-tert-butyl-2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one
CID 135822423
[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126137147
6-bromo-3-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126285741
2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one
CID 23937673
[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-6-methoxyphenyl] acetate
CID 126299728
(2R)-2-[2,3-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]propanoic acid
CID 126314846
methyl 2-[4-bromo-2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]acetate
CID 126293695

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-2-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinazolin-4-one (CID 4516911) is 6,7-dimethoxy-2-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinazolin-4-one is COc1cc2nc(C)n(N=C(C)c3cc(OC)c(OC)c(OC)c3)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinazolin-4-one?
The InChIKey is ALSSEVMWKKXCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-12(14-8-19(29-5)21(31-7)20(9-14)30-6)24-25-13(2)23-16-11-18(28-4)17(27-3)10-15(16)22(25)26/h8-11H,1-7H3.
What are the key properties of 6,7-dimethoxy-2-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinazolin-4-one?
6,7-dimethoxy-2-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinazolin-4-one has a molecular weight of 427.46 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinazolin-4-one is sourced from PubChem (CID 4516911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).