3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one

C17H15N3O2 — CID 2593639

IUPAC3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCOc1cccc(C=Nn2c(C)nc3ccccc3c2=O)c1
InChIInChI=1S/C17H15N3O2/c1-12-19-16-9-4-3-8-15(16)17(21)20(12)18-11-13-6-5-7-14(10-13)22-2/h3-11H,1-2H3
InChIKeyPPAIOFRLLBLBFP-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.60
Rot. Bonds3

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

3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 2593639) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID2593639
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCOc1cccc(C=Nn2c(C)nc3ccccc3c2=O)c1
InChIInChI=1S/C17H15N3O2/c1-12-19-16-9-4-3-8-15(16)17(21)20(12)18-11-13-6-5-7-14(10-13)22-2/h3-11H,1-2H3
InChIKeyPPAIOFRLLBLBFP-UHFFFAOYSA-N
XLogP2.60
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2643412
2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 1049564
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
CID 6906270
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703
[2-methoxy-4-[(E)-(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] 4-methoxybenzoate
CID 6908774
2-(5-chloro-1-benzofuran-2-yl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 126302330
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 3298098
3-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 5209778
3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6867165
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 52915607

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one (CID 2593639) is 3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one is COc1cccc(C=Nn2c(C)nc3ccccc3c2=O)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is PPAIOFRLLBLBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-19-16-9-4-3-8-15(16)17(21)20(12)18-11-13-6-5-7-14(10-13)22-2/h3-11H,1-2H3.
What are the key properties of 3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 293.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 2593639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).