3-phenacyl-[1]benzofuro[3,2-d]pyrimidin-4-one

C18H12N2O3 — CID 3236328

IUPAC3-phenacyl-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(oc3ccccc32)c1=O)c1ccccc1
InChIInChI=1S/C18H12N2O3/c21-14(12-6-2-1-3-7-12)10-20-11-19-16-13-8-4-5-9-15(13)23-17(16)18(20)22/h1-9,11H,10H2
InChIKeySZRCFHVQCYPXDE-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.03
Rot. Bonds3

About 3-phenacyl-[1]benzofuro[3,2-d]pyrimidin-4-one

3-phenacyl-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 3236328) has the molecular formula C18H12N2O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-phenacyl-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-phenacyl-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID3236328
Molecular FormulaC18H12N2O3
Molecular Weight304.31 g/mol
Exact Mass304.08
IUPAC Name3-phenacyl-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(oc3ccccc32)c1=O)c1ccccc1
InChIInChI=1S/C18H12N2O3/c21-14(12-6-2-1-3-7-12)10-20-11-19-16-13-8-4-5-9-15(13)23-17(16)18(20)22/h1-9,11H,10H2
InChIKeySZRCFHVQCYPXDE-UHFFFAOYSA-N
XLogP3.03
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenacyl-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-phenacyl-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 3236328) is 3-phenacyl-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-phenacyl-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-phenacyl-[1]benzofuro[3,2-d]pyrimidin-4-one is O=C(Cn1cnc2c(oc3ccccc32)c1=O)c1ccccc1.
What is the InChIKey of 3-phenacyl-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is SZRCFHVQCYPXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3/c21-14(12-6-2-1-3-7-12)10-20-11-19-16-13-8-4-5-9-15(13)23-17(16)18(20)22/h1-9,11H,10H2.
What are the key properties of 3-phenacyl-[1]benzofuro[3,2-d]pyrimidin-4-one?
3-phenacyl-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 304.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenacyl-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 3236328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).