2-(2-chlorophenyl)-8-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

C17H11ClN2O2 — CID 135867972

IUPAC2-(2-chlorophenyl)-8-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCc1ccc2oc3c(=O)[nH]c(-c4ccccc4Cl)nc3c2c1
InChIInChI=1S/C17H11ClN2O2/c1-9-6-7-13-11(8-9)14-15(22-13)17(21)20-16(19-14)10-4-2-3-5-12(10)18/h2-8H,1H3,(H,19,20,21)
InChIKeyWGWOASUEIXPSEV-UHFFFAOYSA-N
MW310.74 g/mol
LogP4.30
Rot. Bonds1

About 2-(2-chlorophenyl)-8-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

2-(2-chlorophenyl)-8-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 135867972) has the molecular formula C17H11ClN2O2 and a molecular weight of 310.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-8-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-8-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID135867972
Molecular FormulaC17H11ClN2O2
Molecular Weight310.74 g/mol
Exact Mass310.05
IUPAC Name2-(2-chlorophenyl)-8-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCc1ccc2oc3c(=O)[nH]c(-c4ccccc4Cl)nc3c2c1
InChIInChI=1S/C17H11ClN2O2/c1-9-6-7-13-11(8-9)14-15(22-13)17(21)20-16(19-14)10-4-2-3-5-12(10)18/h2-8H,1H3,(H,19,20,21)
InChIKeyWGWOASUEIXPSEV-UHFFFAOYSA-N
XLogP4.30
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-8-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-8-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 135867972) is 2-(2-chlorophenyl)-8-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-8-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-8-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is Cc1ccc2oc3c(=O)[nH]c(-c4ccccc4Cl)nc3c2c1.
What is the InChIKey of 2-(2-chlorophenyl)-8-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is WGWOASUEIXPSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O2/c1-9-6-7-13-11(8-9)14-15(22-13)17(21)20-16(19-14)10-4-2-3-5-12(10)18/h2-8H,1H3,(H,19,20,21).
What are the key properties of 2-(2-chlorophenyl)-8-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
2-(2-chlorophenyl)-8-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 310.74 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-8-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135867972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).