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

C23H25N3O4 — CID 59535598

IUPAC4-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(2-methoxyethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESCOCCn1c(=O)nc(-c2ccc(OCCN(C)C)cc2)c2oc3ccccc3c21
InChIInChI=1S/C23H25N3O4/c1-25(2)12-15-29-17-10-8-16(9-11-17)20-22-21(18-6-4-5-7-19(18)30-22)26(13-14-28-3)23(27)24-20/h4-11H,12-15H2,1-3H3
InChIKeySOHIKOLEXKWUQY-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.40
Rot. Bonds8

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

4-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(2-methoxyethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one (PubChem CID 59535598) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(2-methoxyethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(2-methoxyethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one
PubChem CID59535598
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name4-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(2-methoxyethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESCOCCn1c(=O)nc(-c2ccc(OCCN(C)C)cc2)c2oc3ccccc3c21
InChIInChI=1S/C23H25N3O4/c1-25(2)12-15-29-17-10-8-16(9-11-17)20-22-21(18-6-4-5-7-19(18)30-22)26(13-14-28-3)23(27)24-20/h4-11H,12-15H2,1-3H3
InChIKeySOHIKOLEXKWUQY-UHFFFAOYSA-N
XLogP3.40
TPSA69.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(2-methoxyethyl)-[1]benzofuro[3,2-d]pyrimidin-2-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 4-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(2-methoxyethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one?
The IUPAC name of 4-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(2-methoxyethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one (CID 59535598) is 4-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(2-methoxyethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 4-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(2-methoxyethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one?
The canonical SMILES for 4-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(2-methoxyethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one is COCCn1c(=O)nc(-c2ccc(OCCN(C)C)cc2)c2oc3ccccc3c21.
What is the InChIKey of 4-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(2-methoxyethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one?
The InChIKey is SOHIKOLEXKWUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-25(2)12-15-29-17-10-8-16(9-11-17)20-22-21(18-6-4-5-7-19(18)30-22)26(13-14-28-3)23(27)24-20/h4-11H,12-15H2,1-3H3.
What are the key properties of 4-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(2-methoxyethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one?
4-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(2-methoxyethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one has a molecular weight of 407.47 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(2-methoxyethyl)-[1]benzofuro[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 59535598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).