3-[(4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-phenylquinazolin-4-one

C25H18N4O3 — CID 6474630

IUPAC3-[(4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-phenylquinazolin-4-one
SMILESCC1=N/C(=C/c2ccccc2O)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C25H18N4O3/c1-16-26-21(15-18-11-5-8-14-22(18)30)25(32)28(16)29-23(17-9-3-2-4-10-17)27-20-13-7-6-12-19(20)24(29)31/h2-15,30H,1H3/b21-15+
InChIKeyLCHLZKBAEBXXNK-RCCKNPSSSA-N
MW422.44 g/mol
LogP3.71
Rot. Bonds3

About 3-[(4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-phenylquinazolin-4-one

3-[(4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-phenylquinazolin-4-one (PubChem CID 6474630) has the molecular formula C25H18N4O3 and a molecular weight of 422.44 g/mol. Its IUPAC name is 3-[(4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[(4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-phenylquinazolin-4-one
PubChem CID6474630
Molecular FormulaC25H18N4O3
Molecular Weight422.44 g/mol
Exact Mass422.14
IUPAC Name3-[(4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-phenylquinazolin-4-one
SMILESCC1=N/C(=C/c2ccccc2O)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C25H18N4O3/c1-16-26-21(15-18-11-5-8-14-22(18)30)25(32)28(16)29-23(17-9-3-2-4-10-17)27-20-13-7-6-12-19(20)24(29)31/h2-15,30H,1H3/b21-15+
InChIKeyLCHLZKBAEBXXNK-RCCKNPSSSA-N
XLogP3.71
TPSA87.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[(4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-phenylquinazolin-4-one (CID 6474630) is 3-[(4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[(4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[(4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-phenylquinazolin-4-one is CC1=N/C(=C/c2ccccc2O)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 3-[(4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-phenylquinazolin-4-one?
The InChIKey is LCHLZKBAEBXXNK-RCCKNPSSSA-N. The full InChI is InChI=1S/C25H18N4O3/c1-16-26-21(15-18-11-5-8-14-22(18)30)25(32)28(16)29-23(17-9-3-2-4-10-17)27-20-13-7-6-12-19(20)24(29)31/h2-15,30H,1H3/b21-15+.
What are the key properties of 3-[(4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-phenylquinazolin-4-one?
3-[(4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-phenylquinazolin-4-one has a molecular weight of 422.44 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-phenylquinazolin-4-one is sourced from PubChem (CID 6474630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).