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

C25H28N4O3 — CID 71602729

IUPAC1-(2-methoxyethyl)-4-[4-(2-pyrrolidin-1-ylethylamino)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESCOCCn1c(=O)nc(-c2ccc(NCCN3CCCC3)cc2)c2oc3ccccc3c21
InChIInChI=1S/C25H28N4O3/c1-31-17-16-29-23-20-6-2-3-7-21(20)32-24(23)22(27-25(29)30)18-8-10-19(11-9-18)26-12-15-28-13-4-5-14-28/h2-3,6-11,26H,4-5,12-17H2,1H3
InChIKeyMPRXBQUUOYEXBV-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.96
Rot. Bonds8

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

1-(2-methoxyethyl)-4-[4-(2-pyrrolidin-1-ylethylamino)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-one (PubChem CID 71602729) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[4-(2-pyrrolidin-1-ylethylamino)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[4-(2-pyrrolidin-1-ylethylamino)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-one
PubChem CID71602729
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name1-(2-methoxyethyl)-4-[4-(2-pyrrolidin-1-ylethylamino)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESCOCCn1c(=O)nc(-c2ccc(NCCN3CCCC3)cc2)c2oc3ccccc3c21
InChIInChI=1S/C25H28N4O3/c1-31-17-16-29-23-20-6-2-3-7-21(20)32-24(23)22(27-25(29)30)18-8-10-19(11-9-18)26-12-15-28-13-4-5-14-28/h2-3,6-11,26H,4-5,12-17H2,1H3
InChIKeyMPRXBQUUOYEXBV-UHFFFAOYSA-N
XLogP3.96
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
2-(2-benzofuranyl)-2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]-N-pentylacetamide
CID 53383147
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
4-[4-(2-Dimethylaminoethyloxymethyl)phenyl]-1-(2-methoxyethyl)benzofuro[3,2-d]pyrimidin-2-one
CID 71602730

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[4-(2-pyrrolidin-1-ylethylamino)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-4-[4-(2-pyrrolidin-1-ylethylamino)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-one (CID 71602729) is 1-(2-methoxyethyl)-4-[4-(2-pyrrolidin-1-ylethylamino)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[4-(2-pyrrolidin-1-ylethylamino)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-4-[4-(2-pyrrolidin-1-ylethylamino)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-one is COCCn1c(=O)nc(-c2ccc(NCCN3CCCC3)cc2)c2oc3ccccc3c21.
What is the InChIKey of 1-(2-methoxyethyl)-4-[4-(2-pyrrolidin-1-ylethylamino)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-one?
The InChIKey is MPRXBQUUOYEXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-31-17-16-29-23-20-6-2-3-7-21(20)32-24(23)22(27-25(29)30)18-8-10-19(11-9-18)26-12-15-28-13-4-5-14-28/h2-3,6-11,26H,4-5,12-17H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-[4-(2-pyrrolidin-1-ylethylamino)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-one?
1-(2-methoxyethyl)-4-[4-(2-pyrrolidin-1-ylethylamino)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-one has a molecular weight of 432.52 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[4-(2-pyrrolidin-1-ylethylamino)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 71602729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).