5-(4-chlorophenyl)-6-phenyl-3H-furo[2,3-d]pyrimidin-4-one

C18H11ClN2O2 — CID 143503776

IUPAC5-(4-chlorophenyl)-6-phenyl-3H-furo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2oc(-c3ccccc3)c(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C18H11ClN2O2/c19-13-8-6-11(7-9-13)14-15-17(22)20-10-21-18(15)23-16(14)12-4-2-1-3-5-12/h1-10H,(H,20,21,22)
InChIKeyMAYPEIRPFKTPMM-UHFFFAOYSA-N
MW322.75 g/mol
LogP4.50
Rot. Bonds2

About 5-(4-chlorophenyl)-6-phenyl-3H-furo[2,3-d]pyrimidin-4-one

5-(4-chlorophenyl)-6-phenyl-3H-furo[2,3-d]pyrimidin-4-one (PubChem CID 143503776) has the molecular formula C18H11ClN2O2 and a molecular weight of 322.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-phenyl-3H-furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-phenyl-3H-furo[2,3-d]pyrimidin-4-one
PubChem CID143503776
Molecular FormulaC18H11ClN2O2
Molecular Weight322.75 g/mol
Exact Mass322.05
IUPAC Name5-(4-chlorophenyl)-6-phenyl-3H-furo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2oc(-c3ccccc3)c(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C18H11ClN2O2/c19-13-8-6-11(7-9-13)14-15-17(22)20-10-21-18(15)23-16(14)12-4-2-1-3-5-12/h1-10H,(H,20,21,22)
InChIKeyMAYPEIRPFKTPMM-UHFFFAOYSA-N
XLogP4.50
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-6-phenyl-3H-furo[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-phenyl-3H-furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-chlorophenyl)-6-phenyl-3H-furo[2,3-d]pyrimidin-4-one (CID 143503776) is 5-(4-chlorophenyl)-6-phenyl-3H-furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-chlorophenyl)-6-phenyl-3H-furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chlorophenyl)-6-phenyl-3H-furo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2oc(-c3ccccc3)c(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 5-(4-chlorophenyl)-6-phenyl-3H-furo[2,3-d]pyrimidin-4-one?
The InChIKey is MAYPEIRPFKTPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O2/c19-13-8-6-11(7-9-13)14-15-17(22)20-10-21-18(15)23-16(14)12-4-2-1-3-5-12/h1-10H,(H,20,21,22).
What are the key properties of 5-(4-chlorophenyl)-6-phenyl-3H-furo[2,3-d]pyrimidin-4-one?
5-(4-chlorophenyl)-6-phenyl-3H-furo[2,3-d]pyrimidin-4-one has a molecular weight of 322.75 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-phenyl-3H-furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 143503776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).