3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one

C15H11N3O2 — CID 18229360

IUPAC3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1/N=C/c1cccc(O)c1
InChIInChI=1S/C15H11N3O2/c19-12-5-3-4-11(8-12)9-17-18-10-16-14-7-2-1-6-13(14)15(18)20/h1-10,19H/b17-9+
InChIKeyOFKKQMYQPHDUQG-RQZCQDPDSA-N
MW265.27 g/mol
LogP1.98
Rot. Bonds2

About 3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one

3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one (PubChem CID 18229360) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one
PubChem CID18229360
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1/N=C/c1cccc(O)c1
InChIInChI=1S/C15H11N3O2/c19-12-5-3-4-11(8-12)9-17-18-10-16-14-7-2-1-6-13(14)15(18)20/h1-10,19H/b17-9+
InChIKeyOFKKQMYQPHDUQG-RQZCQDPDSA-N
XLogP1.98
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one
CID 29456276
3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one
CID 6304404
3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one
CID 29456331
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667
3-[(3-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126288477
3-[(Z)-[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]quinazolin-4-one
CID 126206524
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
CID 135650350
5-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 135749570
5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 135749561
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one
CID 5453443
3-ethyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide
CID 9462962

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one?
The IUPAC name of 3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one (CID 18229360) is 3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one is O=c1c2ccccc2ncn1/N=C/c1cccc(O)c1.
What is the InChIKey of 3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one?
The InChIKey is OFKKQMYQPHDUQG-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-12-5-3-4-11(8-12)9-17-18-10-16-14-7-2-1-6-13(14)15(18)20/h1-10,19H/b17-9+.
What are the key properties of 3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one?
3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one has a molecular weight of 265.27 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 18229360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).