6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one

C26H20N4O3 — CID 135434090

IUPAC6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one
SMILESCOc1ccccc1/C=C1/N=C(c2ccccc2)N(c2ccc3nc(C)[nH]c(=O)c3c2)C1=O
InChIInChI=1S/C26H20N4O3/c1-16-27-21-13-12-19(15-20(21)25(31)28-16)30-24(17-8-4-3-5-9-17)29-22(26(30)32)14-18-10-6-7-11-23(18)33-2/h3-15H,1-2H3,(H,27,28,31)/b22-14+
InChIKeyCCDWWJQRAFOSKR-HYARGMPZSA-N
MW436.47 g/mol
LogP4.07
Rot. Bonds4

About 6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one

6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one (PubChem CID 135434090) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is 6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one
PubChem CID135434090
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC Name6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one
SMILESCOc1ccccc1/C=C1/N=C(c2ccccc2)N(c2ccc3nc(C)[nH]c(=O)c3c2)C1=O
InChIInChI=1S/C26H20N4O3/c1-16-27-21-13-12-19(15-20(21)25(31)28-16)30-24(17-8-4-3-5-9-17)29-22(26(30)32)14-18-10-6-7-11-23(18)33-2/h3-15H,1-2H3,(H,27,28,31)/b22-14+
InChIKeyCCDWWJQRAFOSKR-HYARGMPZSA-N
XLogP4.07
TPSA87.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one
CID 135474641
(5E)-3-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-[(2-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1273988
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-phenylimidazol-4-one
CID 6103653
(5Z)-3-(4-bromophenyl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one
CID 45105651
2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid
CID 5072268
5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one
CID 1275115
(5Z)-3-[7-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one
CID 5471561
4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid
CID 6447765
5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 71950639
3-(3-chloro-2-methylphenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one
CID 6617823
4-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzenesulfonamide
CID 162395686
4-[4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzoic acid
CID 3681343

Frequently Asked Questions

What is the IUPAC name of 6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one?
The IUPAC name of 6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one (CID 135434090) is 6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one?
The canonical SMILES for 6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one is COc1ccccc1/C=C1/N=C(c2ccccc2)N(c2ccc3nc(C)[nH]c(=O)c3c2)C1=O.
What is the InChIKey of 6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one?
The InChIKey is CCDWWJQRAFOSKR-HYARGMPZSA-N. The full InChI is InChI=1S/C26H20N4O3/c1-16-27-21-13-12-19(15-20(21)25(31)28-16)30-24(17-8-4-3-5-9-17)29-22(26(30)32)14-18-10-6-7-11-23(18)33-2/h3-15H,1-2H3,(H,27,28,31)/b22-14+.
What are the key properties of 6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one?
6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one has a molecular weight of 436.47 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135434090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).