2-(2-chlorophenyl)-9-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

C17H11ClN2O3 — CID 135867959

IUPAC2-(2-chlorophenyl)-9-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCOc1cccc2oc3c(=O)[nH]c(-c4ccccc4Cl)nc3c12
InChIInChI=1S/C17H11ClN2O3/c1-22-11-7-4-8-12-13(11)14-15(23-12)17(21)20-16(19-14)9-5-2-3-6-10(9)18/h2-8H,1H3,(H,19,20,21)
InChIKeySODRPCOKJCFNSF-UHFFFAOYSA-N
MW326.74 g/mol
LogP4.00
Rot. Bonds2

About 2-(2-chlorophenyl)-9-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

2-(2-chlorophenyl)-9-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 135867959) has the molecular formula C17H11ClN2O3 and a molecular weight of 326.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-9-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-9-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID135867959
Molecular FormulaC17H11ClN2O3
Molecular Weight326.74 g/mol
Exact Mass326.05
IUPAC Name2-(2-chlorophenyl)-9-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCOc1cccc2oc3c(=O)[nH]c(-c4ccccc4Cl)nc3c12
InChIInChI=1S/C17H11ClN2O3/c1-22-11-7-4-8-12-13(11)14-15(23-12)17(21)20-16(19-14)9-5-2-3-6-10(9)18/h2-8H,1H3,(H,19,20,21)
InChIKeySODRPCOKJCFNSF-UHFFFAOYSA-N
XLogP4.00
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-9-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-9-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 135867959) is 2-(2-chlorophenyl)-9-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-9-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-9-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is COc1cccc2oc3c(=O)[nH]c(-c4ccccc4Cl)nc3c12.
What is the InChIKey of 2-(2-chlorophenyl)-9-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is SODRPCOKJCFNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O3/c1-22-11-7-4-8-12-13(11)14-15(23-12)17(21)20-16(19-14)9-5-2-3-6-10(9)18/h2-8H,1H3,(H,19,20,21).
What are the key properties of 2-(2-chlorophenyl)-9-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
2-(2-chlorophenyl)-9-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 326.74 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-9-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135867959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).