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

C22H18N2O2 — CID 1394579

IUPAC2-[4-(3,4-dimethylphenoxy)quinazolin-2-yl]phenol
SMILESCc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)cc1C
InChIInChI=1S/C22H18N2O2/c1-14-11-12-16(13-15(14)2)26-22-17-7-3-5-9-19(17)23-21(24-22)18-8-4-6-10-20(18)25/h3-13,25H,1-2H3
InChIKeyUNBKYHNCTPUGHP-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.41
Rot. Bonds3

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

2-[4-(3,4-dimethylphenoxy)quinazolin-2-yl]phenol (PubChem CID 1394579) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[4-(3,4-dimethylphenoxy)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(3,4-dimethylphenoxy)quinazolin-2-yl]phenol
PubChem CID1394579
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-[4-(3,4-dimethylphenoxy)quinazolin-2-yl]phenol
SMILESCc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)cc1C
InChIInChI=1S/C22H18N2O2/c1-14-11-12-16(13-15(14)2)26-22-17-7-3-5-9-19(17)23-21(24-22)18-8-4-6-10-20(18)25/h3-13,25H,1-2H3
InChIKeyUNBKYHNCTPUGHP-UHFFFAOYSA-N
XLogP5.41
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethylphenoxy)quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-(3,4-dimethylphenoxy)quinazolin-2-yl]phenol (CID 1394579) is 2-[4-(3,4-dimethylphenoxy)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-(3,4-dimethylphenoxy)quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-(3,4-dimethylphenoxy)quinazolin-2-yl]phenol is Cc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)cc1C.
What is the InChIKey of 2-[4-(3,4-dimethylphenoxy)quinazolin-2-yl]phenol?
The InChIKey is UNBKYHNCTPUGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-14-11-12-16(13-15(14)2)26-22-17-7-3-5-9-19(17)23-21(24-22)18-8-4-6-10-20(18)25/h3-13,25H,1-2H3.
What are the key properties of 2-[4-(3,4-dimethylphenoxy)quinazolin-2-yl]phenol?
2-[4-(3,4-dimethylphenoxy)quinazolin-2-yl]phenol has a molecular weight of 342.40 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethylphenoxy)quinazolin-2-yl]phenol is sourced from PubChem (CID 1394579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).