4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)butanamide

C24H25N3O3 — CID 11338625

IUPAC4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)butanamide
SMILESO=C(CCCN1CCOCC1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12
InChIInChI=1S/C24H25N3O3/c28-22(6-3-9-27-10-12-30-13-11-27)25-17-7-8-18-16(14-17)15-21-19-4-1-2-5-20(19)24(29)26-23(18)21/h1-2,4-5,7-8,14H,3,6,9-13,15H2,(H,25,28)(H,26,29)
InChIKeyXXXKQEXIEAANOA-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.15
Rot. Bonds5

About 4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)butanamide

4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)butanamide (PubChem CID 11338625) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)butanamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)butanamide
PubChem CID11338625
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)butanamide
SMILESO=C(CCCN1CCOCC1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12
InChIInChI=1S/C24H25N3O3/c28-22(6-3-9-27-10-12-30-13-11-27)25-17-7-8-18-16(14-17)15-21-19-4-1-2-5-20(19)24(29)26-23(18)21/h1-2,4-5,7-8,14H,3,6,9-13,15H2,(H,25,28)(H,26,29)
InChIKeyXXXKQEXIEAANOA-UHFFFAOYSA-N
XLogP3.15
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)butanamide?
The IUPAC name of 4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)butanamide (CID 11338625) is 4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)butanamide.
What is the SMILES notation for 4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)butanamide?
The canonical SMILES for 4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)butanamide is O=C(CCCN1CCOCC1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)butanamide?
The InChIKey is XXXKQEXIEAANOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-22(6-3-9-27-10-12-30-13-11-27)25-17-7-8-18-16(14-17)15-21-19-4-1-2-5-20(19)24(29)26-23(18)21/h1-2,4-5,7-8,14H,3,6,9-13,15H2,(H,25,28)(H,26,29).
What are the key properties of 4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)butanamide?
4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)butanamide has a molecular weight of 403.48 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)butanamide is sourced from PubChem (CID 11338625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).