2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylbenzimidazol-1-yl)quinazolin-4-one

C25H20N4O2 — CID 6367026

IUPAC2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylbenzimidazol-1-yl)quinazolin-4-one
SMILESCOc1ccc(/C=C/c2nc3ccccc3c(=O)n2-n2c(C)nc3ccccc32)cc1
InChIInChI=1S/C25H20N4O2/c1-17-26-22-9-5-6-10-23(22)28(17)29-24(16-13-18-11-14-19(31-2)15-12-18)27-21-8-4-3-7-20(21)25(29)30/h3-16H,1-2H3/b16-13+
InChIKeyJTKOVPHBYKLCLE-DTQAZKPQSA-N
MW408.46 g/mol
LogP4.55
Rot. Bonds4

About 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylbenzimidazol-1-yl)quinazolin-4-one

2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylbenzimidazol-1-yl)quinazolin-4-one (PubChem CID 6367026) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylbenzimidazol-1-yl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylbenzimidazol-1-yl)quinazolin-4-one
PubChem CID6367026
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylbenzimidazol-1-yl)quinazolin-4-one
SMILESCOc1ccc(/C=C/c2nc3ccccc3c(=O)n2-n2c(C)nc3ccccc32)cc1
InChIInChI=1S/C25H20N4O2/c1-17-26-22-9-5-6-10-23(22)28(17)29-24(16-13-18-11-14-19(31-2)15-12-18)27-21-8-4-3-7-20(21)25(29)30/h3-16H,1-2H3/b16-13+
InChIKeyJTKOVPHBYKLCLE-DTQAZKPQSA-N
XLogP4.55
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 5379493
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 2919944
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone
CID 16999755
2-[2-(4-methoxyphenyl)ethenyl]-3-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]quinazolin-4-one
CID 71960265
2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one
CID 2880240
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
CID 6040576
3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one
CID 4611421
3-(4-oxoquinazolin-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 11440752
1-[2-(4-methoxyphenoxy)ethyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999685
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole
CID 16999687
2-methyl-3-pyrrol-1-ylquinazolin-4-one
CID 15619789

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylbenzimidazol-1-yl)quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylbenzimidazol-1-yl)quinazolin-4-one (CID 6367026) is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylbenzimidazol-1-yl)quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylbenzimidazol-1-yl)quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylbenzimidazol-1-yl)quinazolin-4-one is COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-n2c(C)nc3ccccc32)cc1.
What is the InChIKey of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylbenzimidazol-1-yl)quinazolin-4-one?
The InChIKey is JTKOVPHBYKLCLE-DTQAZKPQSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-17-26-22-9-5-6-10-23(22)28(17)29-24(16-13-18-11-14-19(31-2)15-12-18)27-21-8-4-3-7-20(21)25(29)30/h3-16H,1-2H3/b16-13+.
What are the key properties of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylbenzimidazol-1-yl)quinazolin-4-one?
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylbenzimidazol-1-yl)quinazolin-4-one has a molecular weight of 408.46 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylbenzimidazol-1-yl)quinazolin-4-one is sourced from PubChem (CID 6367026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).