8-(3-hydroxyphenyl)-3-[(3-hydroxyphenyl)methyl]quinazolin-2-one

C21H16N2O3 — CID 102232673

IUPAC8-(3-hydroxyphenyl)-3-[(3-hydroxyphenyl)methyl]quinazolin-2-one
SMILESO=c1nc2c(-c3cccc(O)c3)cccc2cn1Cc1cccc(O)c1
InChIInChI=1S/C21H16N2O3/c24-17-7-1-4-14(10-17)12-23-13-16-6-3-9-19(20(16)22-21(23)26)15-5-2-8-18(25)11-15/h1-11,13,24-25H,12H2
InChIKeyIZCFRFFNFOGNPU-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.52
Rot. Bonds3

About 8-(3-hydroxyphenyl)-3-[(3-hydroxyphenyl)methyl]quinazolin-2-one

8-(3-hydroxyphenyl)-3-[(3-hydroxyphenyl)methyl]quinazolin-2-one (PubChem CID 102232673) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 8-(3-hydroxyphenyl)-3-[(3-hydroxyphenyl)methyl]quinazolin-2-one.

Molecular Properties

Compound Name8-(3-hydroxyphenyl)-3-[(3-hydroxyphenyl)methyl]quinazolin-2-one
PubChem CID102232673
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name8-(3-hydroxyphenyl)-3-[(3-hydroxyphenyl)methyl]quinazolin-2-one
SMILESO=c1nc2c(-c3cccc(O)c3)cccc2cn1Cc1cccc(O)c1
InChIInChI=1S/C21H16N2O3/c24-17-7-1-4-14(10-17)12-23-13-16-6-3-9-19(20(16)22-21(23)26)15-5-2-8-18(25)11-15/h1-11,13,24-25H,12H2
InChIKeyIZCFRFFNFOGNPU-UHFFFAOYSA-N
XLogP3.52
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-hydroxyphenyl)-3-[(3-hydroxyphenyl)methyl]quinazolin-2-one?
The IUPAC name of 8-(3-hydroxyphenyl)-3-[(3-hydroxyphenyl)methyl]quinazolin-2-one (CID 102232673) is 8-(3-hydroxyphenyl)-3-[(3-hydroxyphenyl)methyl]quinazolin-2-one.
What is the SMILES notation for 8-(3-hydroxyphenyl)-3-[(3-hydroxyphenyl)methyl]quinazolin-2-one?
The canonical SMILES for 8-(3-hydroxyphenyl)-3-[(3-hydroxyphenyl)methyl]quinazolin-2-one is O=c1nc2c(-c3cccc(O)c3)cccc2cn1Cc1cccc(O)c1.
What is the InChIKey of 8-(3-hydroxyphenyl)-3-[(3-hydroxyphenyl)methyl]quinazolin-2-one?
The InChIKey is IZCFRFFNFOGNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c24-17-7-1-4-14(10-17)12-23-13-16-6-3-9-19(20(16)22-21(23)26)15-5-2-8-18(25)11-15/h1-11,13,24-25H,12H2.
What are the key properties of 8-(3-hydroxyphenyl)-3-[(3-hydroxyphenyl)methyl]quinazolin-2-one?
8-(3-hydroxyphenyl)-3-[(3-hydroxyphenyl)methyl]quinazolin-2-one has a molecular weight of 344.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-hydroxyphenyl)-3-[(3-hydroxyphenyl)methyl]quinazolin-2-one is sourced from PubChem (CID 102232673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).