2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-(5-morpholin-4-ylisoquinolin-8-yl)acetamide

C24H25N3O4 — CID 154834341

IUPAC2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-(5-morpholin-4-ylisoquinolin-8-yl)acetamide
SMILESCOc1ccc2c(c1)OCC2CC(=O)Nc1ccc(N2CCOCC2)c2ccncc12
InChIInChI=1S/C24H25N3O4/c1-29-17-2-3-18-16(15-31-23(18)13-17)12-24(28)26-21-4-5-22(27-8-10-30-11-9-27)19-6-7-25-14-20(19)21/h2-7,13-14,16H,8-12,15H2,1H3,(H,26,28)
InChIKeyABJRSBRLVAOMOX-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.58
Rot. Bonds5

About 2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-(5-morpholin-4-ylisoquinolin-8-yl)acetamide

2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-(5-morpholin-4-ylisoquinolin-8-yl)acetamide (PubChem CID 154834341) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-(5-morpholin-4-ylisoquinolin-8-yl)acetamide.

Molecular Properties

Compound Name2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-(5-morpholin-4-ylisoquinolin-8-yl)acetamide
PubChem CID154834341
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-(5-morpholin-4-ylisoquinolin-8-yl)acetamide
SMILESCOc1ccc2c(c1)OCC2CC(=O)Nc1ccc(N2CCOCC2)c2ccncc12
InChIInChI=1S/C24H25N3O4/c1-29-17-2-3-18-16(15-31-23(18)13-17)12-24(28)26-21-4-5-22(27-8-10-30-11-9-27)19-6-7-25-14-20(19)21/h2-7,13-14,16H,8-12,15H2,1H3,(H,26,28)
InChIKeyABJRSBRLVAOMOX-UHFFFAOYSA-N
XLogP3.58
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-(5-morpholin-4-ylisoquinolin-8-yl)acetamide?
The IUPAC name of 2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-(5-morpholin-4-ylisoquinolin-8-yl)acetamide (CID 154834341) is 2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-(5-morpholin-4-ylisoquinolin-8-yl)acetamide.
What is the SMILES notation for 2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-(5-morpholin-4-ylisoquinolin-8-yl)acetamide?
The canonical SMILES for 2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-(5-morpholin-4-ylisoquinolin-8-yl)acetamide is COc1ccc2c(c1)OCC2CC(=O)Nc1ccc(N2CCOCC2)c2ccncc12.
What is the InChIKey of 2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-(5-morpholin-4-ylisoquinolin-8-yl)acetamide?
The InChIKey is ABJRSBRLVAOMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-29-17-2-3-18-16(15-31-23(18)13-17)12-24(28)26-21-4-5-22(27-8-10-30-11-9-27)19-6-7-25-14-20(19)21/h2-7,13-14,16H,8-12,15H2,1H3,(H,26,28).
What are the key properties of 2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-(5-morpholin-4-ylisoquinolin-8-yl)acetamide?
2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-(5-morpholin-4-ylisoquinolin-8-yl)acetamide has a molecular weight of 419.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-(5-morpholin-4-ylisoquinolin-8-yl)acetamide is sourced from PubChem (CID 154834341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).