4-(4-methoxyphenoxy)-2-pyridin-2-ylquinazoline

C20H15N3O2 — CID 929911

IUPAC4-(4-methoxyphenoxy)-2-pyridin-2-ylquinazoline
SMILESCOc1ccc(Oc2nc(-c3ccccn3)nc3ccccc23)cc1
InChIInChI=1S/C20H15N3O2/c1-24-14-9-11-15(12-10-14)25-20-16-6-2-3-7-17(16)22-19(23-20)18-8-4-5-13-21-18/h2-13H,1H3
InChIKeyDIHPUTLWMMEPHF-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.49
Rot. Bonds4

About 4-(4-methoxyphenoxy)-2-pyridin-2-ylquinazoline

4-(4-methoxyphenoxy)-2-pyridin-2-ylquinazoline (PubChem CID 929911) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-2-pyridin-2-ylquinazoline.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-2-pyridin-2-ylquinazoline
PubChem CID929911
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name4-(4-methoxyphenoxy)-2-pyridin-2-ylquinazoline
SMILESCOc1ccc(Oc2nc(-c3ccccn3)nc3ccccc23)cc1
InChIInChI=1S/C20H15N3O2/c1-24-14-9-11-15(12-10-14)25-20-16-6-2-3-7-17(16)22-19(23-20)18-8-4-5-13-21-18/h2-13H,1H3
InChIKeyDIHPUTLWMMEPHF-UHFFFAOYSA-N
XLogP4.49
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-2-pyridin-2-ylquinazoline?
The IUPAC name of 4-(4-methoxyphenoxy)-2-pyridin-2-ylquinazoline (CID 929911) is 4-(4-methoxyphenoxy)-2-pyridin-2-ylquinazoline.
What is the SMILES notation for 4-(4-methoxyphenoxy)-2-pyridin-2-ylquinazoline?
The canonical SMILES for 4-(4-methoxyphenoxy)-2-pyridin-2-ylquinazoline is COc1ccc(Oc2nc(-c3ccccn3)nc3ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-2-pyridin-2-ylquinazoline?
The InChIKey is DIHPUTLWMMEPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-24-14-9-11-15(12-10-14)25-20-16-6-2-3-7-17(16)22-19(23-20)18-8-4-5-13-21-18/h2-13H,1H3.
What are the key properties of 4-(4-methoxyphenoxy)-2-pyridin-2-ylquinazoline?
4-(4-methoxyphenoxy)-2-pyridin-2-ylquinazoline has a molecular weight of 329.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-2-pyridin-2-ylquinazoline is sourced from PubChem (CID 929911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).