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

C22H21N3O2 — CID 59535636

IUPAC4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)c2oc3ccccc3c2n1CCN1CCCC1
InChIInChI=1S/C22H21N3O2/c26-22-23-19(16-8-2-1-3-9-16)21-20(17-10-4-5-11-18(17)27-21)25(22)15-14-24-12-6-7-13-24/h1-5,8-11H,6-7,12-15H2
InChIKeyMWXBGVOTQLOEGK-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.91
Rot. Bonds4

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

4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one (PubChem CID 59535636) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one
PubChem CID59535636
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)c2oc3ccccc3c2n1CCN1CCCC1
InChIInChI=1S/C22H21N3O2/c26-22-23-19(16-8-2-1-3-9-16)21-20(17-10-4-5-11-18(17)27-21)25(22)15-14-24-12-6-7-13-24/h1-5,8-11H,6-7,12-15H2
InChIKeyMWXBGVOTQLOEGK-UHFFFAOYSA-N
XLogP3.91
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-Dimethylaminoethyloxy)phenyl]-1-(2-methoxyethyl)benzofuro[3,2-d]pyrimidin-2-one
CID 59535598
8-Chloro-4-phenyl-1-(2-pyrrolidin-1-ylethyl)benzofuro[3,2-d]pyrimidin-2-one
CID 59535602
8-[4-(Dimethylaminomethyl)phenyl]-1,4-diphenyl-benzofuro[3,2-d]pyrimidin-2-one
CID 59535682
8-Chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-4-phenyl-benzofuro[3,2-d]pyrimidin-2-one
CID 59535728
8-[4-(Dimethylaminomethyl)phenyl]-1-pentyl-4-phenyl-benzofuro[3,2-d]pyrimidin-2-one
CID 59535732
1,3,8-Triazaspiro(4.5)decan-4-one, 8-(2-(2-benzofuranyl)ethyl)-3-methyl-1-phenyl-
CID 297017
2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-8-phenyl-benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide
CID 71590307
2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide
CID 71590368
1-[2-(8-Chloro-2-oxo-4-phenyl-benzofuro[3,2-d]pyrimidin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 71602681
N-[4-[1-(2-methoxyethyl)-2-oxo-benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-pyrrolidin-1-yl-acetamide
CID 71602683
N-[4-[8-chloro-1-(2-methoxyethyl)-2-oxo-benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-(ethylamino)acetamide
CID 71602684
1-(2-Methoxyethyl)-4-[4-(2-pyrrolidin-1-ylethylamino)phenyl]benzofuro[3,2-d]pyrimidin-2-one
CID 71602729

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one?
The IUPAC name of 4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one (CID 59535636) is 4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one?
The canonical SMILES for 4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one is O=c1nc(-c2ccccc2)c2oc3ccccc3c2n1CCN1CCCC1.
What is the InChIKey of 4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one?
The InChIKey is MWXBGVOTQLOEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-22-23-19(16-8-2-1-3-9-16)21-20(17-10-4-5-11-18(17)27-21)25(22)15-14-24-12-6-7-13-24/h1-5,8-11H,6-7,12-15H2.
What are the key properties of 4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one?
4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one has a molecular weight of 359.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 59535636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).