8-methoxy-6-(6-phenoxy-3-pyridinyl)quinazoline

C20H15N3O2 — CID 134265277

IUPAC8-methoxy-6-(6-phenoxy-3-pyridinyl)quinazoline
SMILESCOc1cc(-c2ccc(Oc3ccccc3)nc2)cc2cncnc12
InChIInChI=1S/C20H15N3O2/c1-24-18-10-15(9-16-11-21-13-23-20(16)18)14-7-8-19(22-12-14)25-17-5-3-2-4-6-17/h2-13H,1H3
InChIKeyKMQYKNLLBWOCCR-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.49
Rot. Bonds4

About 8-methoxy-6-(6-phenoxy-3-pyridinyl)quinazoline

8-methoxy-6-(6-phenoxy-3-pyridinyl)quinazoline (PubChem CID 134265277) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 8-methoxy-6-(6-phenoxy-3-pyridinyl)quinazoline.

Molecular Properties

Compound Name8-methoxy-6-(6-phenoxy-3-pyridinyl)quinazoline
PubChem CID134265277
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name8-methoxy-6-(6-phenoxy-3-pyridinyl)quinazoline
SMILESCOc1cc(-c2ccc(Oc3ccccc3)nc2)cc2cncnc12
InChIInChI=1S/C20H15N3O2/c1-24-18-10-15(9-16-11-21-13-23-20(16)18)14-7-8-19(22-12-14)25-17-5-3-2-4-6-17/h2-13H,1H3
InChIKeyKMQYKNLLBWOCCR-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 8-methoxy-6-(6-phenoxy-3-pyridinyl)quinazoline?
The IUPAC name of 8-methoxy-6-(6-phenoxy-3-pyridinyl)quinazoline (CID 134265277) is 8-methoxy-6-(6-phenoxy-3-pyridinyl)quinazoline.
What is the SMILES notation for 8-methoxy-6-(6-phenoxy-3-pyridinyl)quinazoline?
The canonical SMILES for 8-methoxy-6-(6-phenoxy-3-pyridinyl)quinazoline is COc1cc(-c2ccc(Oc3ccccc3)nc2)cc2cncnc12.
What is the InChIKey of 8-methoxy-6-(6-phenoxy-3-pyridinyl)quinazoline?
The InChIKey is KMQYKNLLBWOCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-24-18-10-15(9-16-11-21-13-23-20(16)18)14-7-8-19(22-12-14)25-17-5-3-2-4-6-17/h2-13H,1H3.
What are the key properties of 8-methoxy-6-(6-phenoxy-3-pyridinyl)quinazoline?
8-methoxy-6-(6-phenoxy-3-pyridinyl)quinazoline 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 8-methoxy-6-(6-phenoxy-3-pyridinyl)quinazoline is sourced from PubChem (CID 134265277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).