8-chloro-4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one

C22H20ClN3O2 — CID 59535602

IUPAC8-chloro-4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)c2oc3ccc(Cl)cc3c2n1CCN1CCCC1
InChIInChI=1S/C22H20ClN3O2/c23-16-8-9-18-17(14-16)20-21(28-18)19(15-6-2-1-3-7-15)24-22(27)26(20)13-12-25-10-4-5-11-25/h1-3,6-9,14H,4-5,10-13H2
InChIKeyDWOGOJFJJINHMH-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.56
Rot. Bonds4

About 8-chloro-4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one

8-chloro-4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one (PubChem CID 59535602) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 8-chloro-4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name8-chloro-4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one
PubChem CID59535602
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name8-chloro-4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)c2oc3ccc(Cl)cc3c2n1CCN1CCCC1
InChIInChI=1S/C22H20ClN3O2/c23-16-8-9-18-17(14-16)20-21(28-18)19(15-6-2-1-3-7-15)24-22(27)26(20)13-12-25-10-4-5-11-25/h1-3,6-9,14H,4-5,10-13H2
InChIKeyDWOGOJFJJINHMH-UHFFFAOYSA-N
XLogP4.56
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one?
The IUPAC name of 8-chloro-4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one (CID 59535602) is 8-chloro-4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 8-chloro-4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one?
The canonical SMILES for 8-chloro-4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one is O=c1nc(-c2ccccc2)c2oc3ccc(Cl)cc3c2n1CCN1CCCC1.
What is the InChIKey of 8-chloro-4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one?
The InChIKey is DWOGOJFJJINHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c23-16-8-9-18-17(14-16)20-21(28-18)19(15-6-2-1-3-7-15)24-22(27)26(20)13-12-25-10-4-5-11-25/h1-3,6-9,14H,4-5,10-13H2.
What are the key properties of 8-chloro-4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one?
8-chloro-4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one has a molecular weight of 393.87 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 59535602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).