3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one

C26H24N2O5 — CID 20966993

IUPAC3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one
SMILESCOc1ccc(-n2c(/C=C/c3cccc(OC)c3OC)nc3ccccc3c2=O)cc1OC
InChIInChI=1S/C26H24N2O5/c1-30-21-14-13-18(16-23(21)32-3)28-24(27-20-10-6-5-9-19(20)26(28)29)15-12-17-8-7-11-22(31-2)25(17)33-4/h5-16H,1-4H3/b15-12+
InChIKeyXREPOBVTDWSGSU-NTCAYCPXSA-N
MW444.49 g/mol
LogP4.59
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one

3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one (PubChem CID 20966993) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one
PubChem CID20966993
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one
SMILESCOc1ccc(-n2c(/C=C/c3cccc(OC)c3OC)nc3ccccc3c2=O)cc1OC
InChIInChI=1S/C26H24N2O5/c1-30-21-14-13-18(16-23(21)32-3)28-24(27-20-10-6-5-9-19(20)26(28)29)15-12-17-8-7-11-22(31-2)25(17)33-4/h5-16H,1-4H3/b15-12+
InChIKeyXREPOBVTDWSGSU-NTCAYCPXSA-N
XLogP4.59
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one with MolForge

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Related Compounds

2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-3-(3-methylphenyl)quinazolin-4-one
CID 20966987
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-3-(3-fluoro-4-methylphenyl)quinazolin-4-one
CID 20966989
3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one
CID 20966990
2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2862994
2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
CID 92967429
3-(3,5-dimethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
CID 136507453
3-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethenyl]quinazolin-4-one
CID 2978952
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 632826
3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
CID 136648633
2-[2-(2-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 2900924
3-(3-chloro-4-methoxyphenyl)-2-[(E)-2-(3-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 20966836
3-(3-chloro-4-methoxyphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966826

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one (CID 20966993) is 3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one is COc1ccc(-n2c(/C=C/c3cccc(OC)c3OC)nc3ccccc3c2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one?
The InChIKey is XREPOBVTDWSGSU-NTCAYCPXSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-30-21-14-13-18(16-23(21)32-3)28-24(27-20-10-6-5-9-19(20)26(28)29)15-12-17-8-7-11-22(31-2)25(17)33-4/h5-16H,1-4H3/b15-12+.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one?
3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one has a molecular weight of 444.49 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 20966993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).