3-[6-(4-methoxyphenyl)quinazolin-4-yl]oxyphenol

C21H16N2O3 — CID 86766683

IUPAC3-[6-(4-methoxyphenyl)quinazolin-4-yl]oxyphenol
SMILESCOc1ccc(-c2ccc3ncnc(Oc4cccc(O)c4)c3c2)cc1
InChIInChI=1S/C21H16N2O3/c1-25-17-8-5-14(6-9-17)15-7-10-20-19(11-15)21(23-13-22-20)26-18-4-2-3-16(24)12-18/h2-13,24H,1H3
InChIKeyNMGQBHKJOZFEDA-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.80
Rot. Bonds4

About 3-[6-(4-methoxyphenyl)quinazolin-4-yl]oxyphenol

3-[6-(4-methoxyphenyl)quinazolin-4-yl]oxyphenol (PubChem CID 86766683) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-[6-(4-methoxyphenyl)quinazolin-4-yl]oxyphenol.

Molecular Properties

Compound Name3-[6-(4-methoxyphenyl)quinazolin-4-yl]oxyphenol
PubChem CID86766683
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name3-[6-(4-methoxyphenyl)quinazolin-4-yl]oxyphenol
SMILESCOc1ccc(-c2ccc3ncnc(Oc4cccc(O)c4)c3c2)cc1
InChIInChI=1S/C21H16N2O3/c1-25-17-8-5-14(6-9-17)15-7-10-20-19(11-15)21(23-13-22-20)26-18-4-2-3-16(24)12-18/h2-13,24H,1H3
InChIKeyNMGQBHKJOZFEDA-UHFFFAOYSA-N
XLogP4.80
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methoxyphenyl)quinazolin-4-yl]oxyphenol?
The IUPAC name of 3-[6-(4-methoxyphenyl)quinazolin-4-yl]oxyphenol (CID 86766683) is 3-[6-(4-methoxyphenyl)quinazolin-4-yl]oxyphenol.
What is the SMILES notation for 3-[6-(4-methoxyphenyl)quinazolin-4-yl]oxyphenol?
The canonical SMILES for 3-[6-(4-methoxyphenyl)quinazolin-4-yl]oxyphenol is COc1ccc(-c2ccc3ncnc(Oc4cccc(O)c4)c3c2)cc1.
What is the InChIKey of 3-[6-(4-methoxyphenyl)quinazolin-4-yl]oxyphenol?
The InChIKey is NMGQBHKJOZFEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-25-17-8-5-14(6-9-17)15-7-10-20-19(11-15)21(23-13-22-20)26-18-4-2-3-16(24)12-18/h2-13,24H,1H3.
What are the key properties of 3-[6-(4-methoxyphenyl)quinazolin-4-yl]oxyphenol?
3-[6-(4-methoxyphenyl)quinazolin-4-yl]oxyphenol has a molecular weight of 344.37 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methoxyphenyl)quinazolin-4-yl]oxyphenol is sourced from PubChem (CID 86766683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).