2-(1-benzofuran-2-yl)-6-methoxy-3H-quinazolin-4-one

C17H12N2O3 — CID 135999571

IUPAC2-(1-benzofuran-2-yl)-6-methoxy-3H-quinazolin-4-one
SMILESCOc1ccc2nc(-c3cc4ccccc4o3)[nH]c(=O)c2c1
InChIInChI=1S/C17H12N2O3/c1-21-11-6-7-13-12(9-11)17(20)19-16(18-13)15-8-10-4-2-3-5-14(10)22-15/h2-9H,1H3,(H,18,19,20)
InChIKeyZYYLYOWLMBWDHE-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.34
Rot. Bonds2

About 2-(1-benzofuran-2-yl)-6-methoxy-3H-quinazolin-4-one

2-(1-benzofuran-2-yl)-6-methoxy-3H-quinazolin-4-one (PubChem CID 135999571) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-6-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-6-methoxy-3H-quinazolin-4-one
PubChem CID135999571
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name2-(1-benzofuran-2-yl)-6-methoxy-3H-quinazolin-4-one
SMILESCOc1ccc2nc(-c3cc4ccccc4o3)[nH]c(=O)c2c1
InChIInChI=1S/C17H12N2O3/c1-21-11-6-7-13-12(9-11)17(20)19-16(18-13)15-8-10-4-2-3-5-14(10)22-15/h2-9H,1H3,(H,18,19,20)
InChIKeyZYYLYOWLMBWDHE-UHFFFAOYSA-N
XLogP3.34
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-6-methoxy-3H-quinazolin-4-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-6-methoxy-3H-quinazolin-4-one (CID 135999571) is 2-(1-benzofuran-2-yl)-6-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-6-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-6-methoxy-3H-quinazolin-4-one is COc1ccc2nc(-c3cc4ccccc4o3)[nH]c(=O)c2c1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-6-methoxy-3H-quinazolin-4-one?
The InChIKey is ZYYLYOWLMBWDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c1-21-11-6-7-13-12(9-11)17(20)19-16(18-13)15-8-10-4-2-3-5-14(10)22-15/h2-9H,1H3,(H,18,19,20).
What are the key properties of 2-(1-benzofuran-2-yl)-6-methoxy-3H-quinazolin-4-one?
2-(1-benzofuran-2-yl)-6-methoxy-3H-quinazolin-4-one has a molecular weight of 292.29 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-6-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 135999571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).