2-[4-(2,3-dimethylphenoxy)quinazolin-2-yl]-6-methoxyphenol

C23H20N2O3 — CID 3723683

IUPAC2-[4-(2,3-dimethylphenoxy)quinazolin-2-yl]-6-methoxyphenol
SMILESCOc1cccc(-c2nc(Oc3cccc(C)c3C)c3ccccc3n2)c1O
InChIInChI=1S/C23H20N2O3/c1-14-8-6-12-19(15(14)2)28-23-16-9-4-5-11-18(16)24-22(25-23)17-10-7-13-20(27-3)21(17)26/h4-13,26H,1-3H3
InChIKeyMEEZGWNRFNKLSC-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.42
Rot. Bonds4

About 2-[4-(2,3-dimethylphenoxy)quinazolin-2-yl]-6-methoxyphenol

2-[4-(2,3-dimethylphenoxy)quinazolin-2-yl]-6-methoxyphenol (PubChem CID 3723683) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenoxy)quinazolin-2-yl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenoxy)quinazolin-2-yl]-6-methoxyphenol
PubChem CID3723683
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name2-[4-(2,3-dimethylphenoxy)quinazolin-2-yl]-6-methoxyphenol
SMILESCOc1cccc(-c2nc(Oc3cccc(C)c3C)c3ccccc3n2)c1O
InChIInChI=1S/C23H20N2O3/c1-14-8-6-12-19(15(14)2)28-23-16-9-4-5-11-18(16)24-22(25-23)17-10-7-13-20(27-3)21(17)26/h4-13,26H,1-3H3
InChIKeyMEEZGWNRFNKLSC-UHFFFAOYSA-N
XLogP5.42
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenoxy)quinazolin-2-yl]-6-methoxyphenol?
The IUPAC name of 2-[4-(2,3-dimethylphenoxy)quinazolin-2-yl]-6-methoxyphenol (CID 3723683) is 2-[4-(2,3-dimethylphenoxy)quinazolin-2-yl]-6-methoxyphenol.
What is the SMILES notation for 2-[4-(2,3-dimethylphenoxy)quinazolin-2-yl]-6-methoxyphenol?
The canonical SMILES for 2-[4-(2,3-dimethylphenoxy)quinazolin-2-yl]-6-methoxyphenol is COc1cccc(-c2nc(Oc3cccc(C)c3C)c3ccccc3n2)c1O.
What is the InChIKey of 2-[4-(2,3-dimethylphenoxy)quinazolin-2-yl]-6-methoxyphenol?
The InChIKey is MEEZGWNRFNKLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-14-8-6-12-19(15(14)2)28-23-16-9-4-5-11-18(16)24-22(25-23)17-10-7-13-20(27-3)21(17)26/h4-13,26H,1-3H3.
What are the key properties of 2-[4-(2,3-dimethylphenoxy)quinazolin-2-yl]-6-methoxyphenol?
2-[4-(2,3-dimethylphenoxy)quinazolin-2-yl]-6-methoxyphenol has a molecular weight of 372.42 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenoxy)quinazolin-2-yl]-6-methoxyphenol is sourced from PubChem (CID 3723683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).