3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one

C19H19N3O2 — CID 936802

IUPAC3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1N=Cc1cccc(C)c1O
InChIInChI=1S/C19H19N3O2/c1-3-7-17-21-16-11-5-4-10-15(16)19(24)22(17)20-12-14-9-6-8-13(2)18(14)23/h4-6,8-12,23H,3,7H2,1-2H3
InChIKeyJWOZVSSODQJRET-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.25
Rot. Bonds4

About 3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one

3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one (PubChem CID 936802) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one.

Molecular Properties

Compound Name3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one
PubChem CID936802
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1N=Cc1cccc(C)c1O
InChIInChI=1S/C19H19N3O2/c1-3-7-17-21-16-11-5-4-10-15(16)19(24)22(17)20-12-14-9-6-8-13(2)18(14)23/h4-6,8-12,23H,3,7H2,1-2H3
InChIKeyJWOZVSSODQJRET-UHFFFAOYSA-N
XLogP3.25
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 936423
3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 135549874
3-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(phenoxymethyl)quinazolin-4-one
CID 136877458
3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-propylquinazolin-4-one
CID 135650599
3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one
CID 5424130
2-propyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one
CID 1387491
3-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135452571
6-bromo-3-[(5-methylthiophen-2-yl)methylideneamino]-2-propylquinazolin-4-one
CID 126319220
6-bromo-3-[(2-bromophenyl)methylideneamino]-2-butylquinazolin-4-one
CID 126329972
2-[3-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]indol-1-yl]acetamide
CID 126326941
2-ethyl-3-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 136721174
3-[(E)-1H-indol-3-ylmethylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 135517049

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one?
The IUPAC name of 3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one (CID 936802) is 3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one.
What is the SMILES notation for 3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one?
The canonical SMILES for 3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one is CCCc1nc2ccccc2c(=O)n1N=Cc1cccc(C)c1O.
What is the InChIKey of 3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one?
The InChIKey is JWOZVSSODQJRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-7-17-21-16-11-5-4-10-15(16)19(24)22(17)20-12-14-9-6-8-13(2)18(14)23/h4-6,8-12,23H,3,7H2,1-2H3.
What are the key properties of 3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one?
3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one has a molecular weight of 321.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one is sourced from PubChem (CID 936802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).