1-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]ethanone

C21H15N3O2 — CID 2549706

IUPAC1-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C21H15N3O2/c1-14(25)15-8-10-17(11-9-15)26-21-18-6-2-3-7-19(18)23-20(24-21)16-5-4-12-22-13-16/h2-13H,1H3
InChIKeyQBKMCXLSVBRWOS-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.69
Rot. Bonds4

About 1-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]ethanone

1-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]ethanone (PubChem CID 2549706) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]ethanone
PubChem CID2549706
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name1-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C21H15N3O2/c1-14(25)15-8-10-17(11-9-15)26-21-18-6-2-3-7-19(18)23-20(24-21)16-5-4-12-22-13-16/h2-13H,1H3
InChIKeyQBKMCXLSVBRWOS-UHFFFAOYSA-N
XLogP4.69
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]ethanone?
The IUPAC name of 1-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]ethanone (CID 2549706) is 1-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]ethanone?
The canonical SMILES for 1-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]ethanone is CC(=O)c1ccc(Oc2nc(-c3cccnc3)nc3ccccc23)cc1.
What is the InChIKey of 1-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]ethanone?
The InChIKey is QBKMCXLSVBRWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c1-14(25)15-8-10-17(11-9-15)26-21-18-6-2-3-7-19(18)23-20(24-21)16-5-4-12-22-13-16/h2-13H,1H3.
What are the key properties of 1-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]ethanone?
1-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]ethanone has a molecular weight of 341.37 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]ethanone is sourced from PubChem (CID 2549706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).