3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one

C18H17N3O3 — CID 2643412

IUPAC3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCOc1cc(C=Nn2c(C)nc3ccccc3c2=O)cc(OC)c1
InChIInChI=1S/C18H17N3O3/c1-12-20-17-7-5-4-6-16(17)18(22)21(12)19-11-13-8-14(23-2)10-15(9-13)24-3/h4-11H,1-3H3
InChIKeyWCOOGBSMDMCFDK-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.60
Rot. Bonds4

About 3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one

3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 2643412) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID2643412
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCOc1cc(C=Nn2c(C)nc3ccccc3c2=O)cc(OC)c1
InChIInChI=1S/C18H17N3O3/c1-12-20-17-7-5-4-6-16(17)18(22)21(12)19-11-13-8-14(23-2)10-15(9-13)24-3/h4-11H,1-3H3
InChIKeyWCOOGBSMDMCFDK-UHFFFAOYSA-N
XLogP2.60
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2593639
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
CID 6906270
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 1049564
3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 23350658
[2-methoxy-4-[(E)-(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] 4-methoxybenzoate
CID 6908774
3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 52915607
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 3298098
3-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 5209778
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703
3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6867165

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one (CID 2643412) is 3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one is COc1cc(C=Nn2c(C)nc3ccccc3c2=O)cc(OC)c1.
What is the InChIKey of 3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is WCOOGBSMDMCFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-20-17-7-5-4-6-16(17)18(22)21(12)19-11-13-8-14(23-2)10-15(9-13)24-3/h4-11H,1-3H3.
What are the key properties of 3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 323.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 2643412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).