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

C22H16N2O3 — CID 135616998

IUPAC3-(4-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2ccc(O)cc2)n1-c1ccc(O)cc1
InChIInChI=1S/C22H16N2O3/c25-17-10-5-15(6-11-17)7-14-21-23-20-4-2-1-3-19(20)22(27)24(21)16-8-12-18(26)13-9-16/h1-14,25-26H/b14-7+
InChIKeyHUPBVONQZREDOH-VGOFMYFVSA-N
MW356.38 g/mol
LogP3.97
Rot. Bonds3

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

3-(4-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one (PubChem CID 135616998) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
PubChem CID135616998
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name3-(4-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2ccc(O)cc2)n1-c1ccc(O)cc1
InChIInChI=1S/C22H16N2O3/c25-17-10-5-15(6-11-17)7-14-21-23-20-4-2-1-3-19(20)22(27)24(21)16-8-12-18(26)13-9-16/h1-14,25-26H/b14-7+
InChIKeyHUPBVONQZREDOH-VGOFMYFVSA-N
XLogP3.97
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(4-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one (CID 135616998) is 3-(4-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one is O=c1c2ccccc2nc(/C=C/c2ccc(O)cc2)n1-c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one?
The InChIKey is HUPBVONQZREDOH-VGOFMYFVSA-N. The full InChI is InChI=1S/C22H16N2O3/c25-17-10-5-15(6-11-17)7-14-21-23-20-4-2-1-3-19(20)22(27)24(21)16-8-12-18(26)13-9-16/h1-14,25-26H/b14-7+.
What are the key properties of 3-(4-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one?
3-(4-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one has a molecular weight of 356.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 135616998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).