2-[4-(3-methoxyphenoxy)quinazolin-2-yl]phenol

C21H16N2O3 — CID 1399461

IUPAC2-[4-(3-methoxyphenoxy)quinazolin-2-yl]phenol
SMILESCOc1cccc(Oc2nc(-c3ccccc3O)nc3ccccc23)c1
InChIInChI=1S/C21H16N2O3/c1-25-14-7-6-8-15(13-14)26-21-16-9-2-4-11-18(16)22-20(23-21)17-10-3-5-12-19(17)24/h2-13,24H,1H3
InChIKeyHKXJLXFOQGRCMJ-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.80
Rot. Bonds4

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

2-[4-(3-methoxyphenoxy)quinazolin-2-yl]phenol (PubChem CID 1399461) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenoxy)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(3-methoxyphenoxy)quinazolin-2-yl]phenol
PubChem CID1399461
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name2-[4-(3-methoxyphenoxy)quinazolin-2-yl]phenol
SMILESCOc1cccc(Oc2nc(-c3ccccc3O)nc3ccccc23)c1
InChIInChI=1S/C21H16N2O3/c1-25-14-7-6-8-15(13-14)26-21-16-9-2-4-11-18(16)22-20(23-21)17-10-3-5-12-19(17)24/h2-13,24H,1H3
InChIKeyHKXJLXFOQGRCMJ-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 2-[4-(3-methoxyphenoxy)quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-(3-methoxyphenoxy)quinazolin-2-yl]phenol (CID 1399461) is 2-[4-(3-methoxyphenoxy)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-(3-methoxyphenoxy)quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-(3-methoxyphenoxy)quinazolin-2-yl]phenol is COc1cccc(Oc2nc(-c3ccccc3O)nc3ccccc23)c1.
What is the InChIKey of 2-[4-(3-methoxyphenoxy)quinazolin-2-yl]phenol?
The InChIKey is HKXJLXFOQGRCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-25-14-7-6-8-15(13-14)26-21-16-9-2-4-11-18(16)22-20(23-21)17-10-3-5-12-19(17)24/h2-13,24H,1H3.
What are the key properties of 2-[4-(3-methoxyphenoxy)quinazolin-2-yl]phenol?
2-[4-(3-methoxyphenoxy)quinazolin-2-yl]phenol 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 2-[4-(3-methoxyphenoxy)quinazolin-2-yl]phenol is sourced from PubChem (CID 1399461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).