3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one

C16H13N3O3 — CID 135433285

IUPAC3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C/c1ccc(O)cc1O
InChIInChI=1S/C16H13N3O3/c1-10-18-14-5-3-2-4-13(14)16(22)19(10)17-9-11-6-7-12(20)8-15(11)21/h2-9,20-21H,1H3/b17-9+
InChIKeyVWILNSRDEYQMBQ-RQZCQDPDSA-N
MW295.30 g/mol
LogP2.00
Rot. Bonds2

About 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one

3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 135433285) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID135433285
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C/c1ccc(O)cc1O
InChIInChI=1S/C16H13N3O3/c1-10-18-14-5-3-2-4-13(14)16(22)19(10)17-9-11-6-7-12(20)8-15(11)21/h2-9,20-21H,1H3/b17-9+
InChIKeyVWILNSRDEYQMBQ-RQZCQDPDSA-N
XLogP2.00
TPSA87.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylquinazolin-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

4(3H)-Quinazolinone, 2-(2-hydroxyphenyl)-
CID 135458774
3-{[(E)-(2-hydroxyphenyl)methylidene]amino}-2-phenyl-4(3H)-quinazolinone
CID 135539638
3-{[(2-Hydroxyphenyl)methylidene]amino}-2-methyl-3,4-dihydroquinazolin-4-one
CID 135446665
3-{[(E)-(2,4-dihydroxyphenyl)methylidene]amino}-2-(phenoxymethyl)quinazolin-4(3H)-one
CID 135650632
3-[[(E)-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-methylquinazolin-4-one
CID 135676089
(E)-3-(((2-hydroxynaphthalen-1-yl)methylene)amino)-2-methylquinazolin-4(3H)-one
CID 135443059
3-[[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-propylquinazolin-4-one
CID 135449585
3-{[(E)-(2-hydroxyphenyl)methylidene]amino}-2-propylquinazolin-4(3H)-one
CID 135449601
3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 135562884
3-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]quinazolin-4-one
CID 137007120
3-[(4-methoxybenzylidene)amino]-2-methyl-4(3H)-quinazolinone
CID 6869244
3-(4-hydroxyphenethyl)-2-methylquinazolin-4(3H)-one
CID 8071050

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one (CID 135433285) is 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(O)cc1O.
What is the InChIKey of 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is VWILNSRDEYQMBQ-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-10-18-14-5-3-2-4-13(14)16(22)19(10)17-9-11-6-7-12(20)8-15(11)21/h2-9,20-21H,1H3/b17-9+.
What are the key properties of 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 295.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 135433285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).