6,7-dimethoxy-2-methyl-3-(1-pyridin-4-ylethylideneamino)quinazolin-4-one

C18H18N4O3 — CID 933441

IUPAC6,7-dimethoxy-2-methyl-3-(1-pyridin-4-ylethylideneamino)quinazolin-4-one
SMILESCOc1cc2nc(C)n(N=C(C)c3ccncc3)c(=O)c2cc1OC
InChIInChI=1S/C18H18N4O3/c1-11(13-5-7-19-8-6-13)21-22-12(2)20-15-10-17(25-4)16(24-3)9-14(15)18(22)23/h5-10H,1-4H3
InChIKeyZDQOAAMLYRHEMD-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.39
Rot. Bonds4

About 6,7-dimethoxy-2-methyl-3-(1-pyridin-4-ylethylideneamino)quinazolin-4-one

6,7-dimethoxy-2-methyl-3-(1-pyridin-4-ylethylideneamino)quinazolin-4-one (PubChem CID 933441) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-3-(1-pyridin-4-ylethylideneamino)quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-3-(1-pyridin-4-ylethylideneamino)quinazolin-4-one
PubChem CID933441
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name6,7-dimethoxy-2-methyl-3-(1-pyridin-4-ylethylideneamino)quinazolin-4-one
SMILESCOc1cc2nc(C)n(N=C(C)c3ccncc3)c(=O)c2cc1OC
InChIInChI=1S/C18H18N4O3/c1-11(13-5-7-19-8-6-13)21-22-12(2)20-15-10-17(25-4)16(24-3)9-14(15)18(22)23/h5-10H,1-4H3
InChIKeyZDQOAAMLYRHEMD-UHFFFAOYSA-N
XLogP2.39
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(3,4,5-trimethoxyphenyl)ethylideneamino]quinazolin-4-one
CID 4516911
2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one
CID 23937673
6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one
CID 808669
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
3-[(E)-(3-tert-butyl-2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one
CID 135822423
N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide
CID 71705129
7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one
CID 134112398
[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-6-methoxyphenyl] acetate
CID 126299728
3-[1-(4-aminophenyl)ethylideneamino]-2-phenylquinazolin-4-one
CID 170995267
6-bromo-3-[[4-(dimethylamino)-2-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126303339
2,3,6,7-tetramethoxy-9-methylacridine
CID 46187785

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-3-(1-pyridin-4-ylethylideneamino)quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-2-methyl-3-(1-pyridin-4-ylethylideneamino)quinazolin-4-one (CID 933441) is 6,7-dimethoxy-2-methyl-3-(1-pyridin-4-ylethylideneamino)quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-3-(1-pyridin-4-ylethylideneamino)quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-methyl-3-(1-pyridin-4-ylethylideneamino)quinazolin-4-one is COc1cc2nc(C)n(N=C(C)c3ccncc3)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-methyl-3-(1-pyridin-4-ylethylideneamino)quinazolin-4-one?
The InChIKey is ZDQOAAMLYRHEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11(13-5-7-19-8-6-13)21-22-12(2)20-15-10-17(25-4)16(24-3)9-14(15)18(22)23/h5-10H,1-4H3.
What are the key properties of 6,7-dimethoxy-2-methyl-3-(1-pyridin-4-ylethylideneamino)quinazolin-4-one?
6,7-dimethoxy-2-methyl-3-(1-pyridin-4-ylethylideneamino)quinazolin-4-one has a molecular weight of 338.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-3-(1-pyridin-4-ylethylideneamino)quinazolin-4-one is sourced from PubChem (CID 933441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).