2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol

C22H17BrN2O3 — CID 3276050

IUPAC2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol
SMILESCOc1cccc(-c2nc(Oc3ccc(C)cc3Br)c3ccccc3n2)c1O
InChIInChI=1S/C22H17BrN2O3/c1-13-10-11-18(16(23)12-13)28-22-14-6-3-4-8-17(14)24-21(25-22)15-7-5-9-19(27-2)20(15)26/h3-12,26H,1-2H3
InChIKeyOZWOAVSFVDPPGS-UHFFFAOYSA-N
MW437.29 g/mol
LogP5.87
Rot. Bonds4

About 2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol

2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol (PubChem CID 3276050) has the molecular formula C22H17BrN2O3 and a molecular weight of 437.29 g/mol. Its IUPAC name is 2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol
PubChem CID3276050
Molecular FormulaC22H17BrN2O3
Molecular Weight437.29 g/mol
Exact Mass436.04
IUPAC Name2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol
SMILESCOc1cccc(-c2nc(Oc3ccc(C)cc3Br)c3ccccc3n2)c1O
InChIInChI=1S/C22H17BrN2O3/c1-13-10-11-18(16(23)12-13)28-22-14-6-3-4-8-17(14)24-21(25-22)15-7-5-9-19(27-2)20(15)26/h3-12,26H,1-2H3
InChIKeyOZWOAVSFVDPPGS-UHFFFAOYSA-N
XLogP5.87
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.29
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol?
The IUPAC name of 2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol (CID 3276050) is 2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol.
What is the SMILES notation for 2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol?
The canonical SMILES for 2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol is COc1cccc(-c2nc(Oc3ccc(C)cc3Br)c3ccccc3n2)c1O.
What is the InChIKey of 2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol?
The InChIKey is OZWOAVSFVDPPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2O3/c1-13-10-11-18(16(23)12-13)28-22-14-6-3-4-8-17(14)24-21(25-22)15-7-5-9-19(27-2)20(15)26/h3-12,26H,1-2H3.
What are the key properties of 2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol?
2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol has a molecular weight of 437.29 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol is sourced from PubChem (CID 3276050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).