2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one

C24H20N2O4 — CID 135464616

IUPAC2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2c(/C=C/c3ccc(O)c(OC)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C24H20N2O4/c1-29-18-11-9-17(10-12-18)26-23(25-20-6-4-3-5-19(20)24(26)28)14-8-16-7-13-21(27)22(15-16)30-2/h3-15,27H,1-2H3/b14-8+
InChIKeyJKCPCYRMMZHKJX-RIYZIHGNSA-N
MW400.43 g/mol
LogP4.28
Rot. Bonds5

About 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one

2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one (PubChem CID 135464616) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
PubChem CID135464616
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2c(/C=C/c3ccc(O)c(OC)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C24H20N2O4/c1-29-18-11-9-17(10-12-18)26-23(25-20-6-4-3-5-19(20)24(26)28)14-8-16-7-13-21(27)22(15-16)30-2/h3-15,27H,1-2H3/b14-8+
InChIKeyJKCPCYRMMZHKJX-RIYZIHGNSA-N
XLogP4.28
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one (CID 135464616) is 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one is COc1ccc(-n2c(/C=C/c3ccc(O)c(OC)c3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one?
The InChIKey is JKCPCYRMMZHKJX-RIYZIHGNSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-29-18-11-9-17(10-12-18)26-23(25-20-6-4-3-5-19(20)24(26)28)14-8-16-7-13-21(27)22(15-16)30-2/h3-15,27H,1-2H3/b14-8+.
What are the key properties of 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one?
2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one has a molecular weight of 400.43 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 135464616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).