2-morpholin-4-yl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]acetamide

C19H24N4O3 — CID 24851881

IUPAC2-morpholin-4-yl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]acetamide
SMILESO=C(CN1CCOCC1)NCCc1c[nH]c2ccc3c(c12)CCNC3=O
InChIInChI=1S/C19H24N4O3/c24-17(12-23-7-9-26-10-8-23)20-5-3-13-11-22-16-2-1-15-14(18(13)16)4-6-21-19(15)25/h1-2,11,22H,3-10,12H2,(H,20,24)(H,21,25)
InChIKeyQJSVEXLVCDJTKO-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.44
Rot. Bonds5

About 2-morpholin-4-yl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]acetamide

2-morpholin-4-yl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]acetamide (PubChem CID 24851881) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]acetamide
PubChem CID24851881
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-morpholin-4-yl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]acetamide
SMILESO=C(CN1CCOCC1)NCCc1c[nH]c2ccc3c(c12)CCNC3=O
InChIInChI=1S/C19H24N4O3/c24-17(12-23-7-9-26-10-8-23)20-5-3-13-11-22-16-2-1-15-14(18(13)16)4-6-21-19(15)25/h1-2,11,22H,3-10,12H2,(H,20,24)(H,21,25)
InChIKeyQJSVEXLVCDJTKO-UHFFFAOYSA-N
XLogP0.44
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]acetamide (CID 24851881) is 2-morpholin-4-yl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]acetamide is O=C(CN1CCOCC1)NCCc1c[nH]c2ccc3c(c12)CCNC3=O.
What is the InChIKey of 2-morpholin-4-yl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]acetamide?
The InChIKey is QJSVEXLVCDJTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-17(12-23-7-9-26-10-8-23)20-5-3-13-11-22-16-2-1-15-14(18(13)16)4-6-21-19(15)25/h1-2,11,22H,3-10,12H2,(H,20,24)(H,21,25).
What are the key properties of 2-morpholin-4-yl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]acetamide?
2-morpholin-4-yl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]acetamide is sourced from PubChem (CID 24851881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).