4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-8-yl)butanamide

C24H25N3O3 — CID 11165585

IUPAC4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-8-yl)butanamide
SMILESO=C(CCCN1CCOCC1)Nc1ccc2c(c1)-c1[nH]c(=O)c3ccccc3c1C2
InChIInChI=1S/C24H25N3O3/c28-22(6-3-9-27-10-12-30-13-11-27)25-17-8-7-16-14-21-18-4-1-2-5-19(18)24(29)26-23(21)20(16)15-17/h1-2,4-5,7-8,15H,3,6,9-14H2,(H,25,28)(H,26,29)
InChIKeyULUOHIWKHZERBU-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-8-yl)butanamide

4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-8-yl)butanamide (PubChem CID 11165585) 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-8-yl)butanamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-8-yl)butanamide
PubChem CID11165585
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-8-yl)butanamide
SMILESO=C(CCCN1CCOCC1)Nc1ccc2c(c1)-c1[nH]c(=O)c3ccccc3c1C2
InChIInChI=1S/C24H25N3O3/c28-22(6-3-9-27-10-12-30-13-11-27)25-17-8-7-16-14-21-18-4-1-2-5-19(18)24(29)26-23(21)20(16)15-17/h1-2,4-5,7-8,15H,3,6,9-14H2,(H,25,28)(H,26,29)
InChIKeyULUOHIWKHZERBU-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

Analyze 4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-8-yl)butanamide with MolForge

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Related Compounds

(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 9798466
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}acetamide
CID 11202184
2-(morpholin-4-yl)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl}acetamide
CID 11257357
9-Amino-6H,11H-indeno[1,2-c]isoquinolin-5-one
CID 11288114
2-(dimethylamino)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl}acetamide
CID 11290531
1-{8-Oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}-3-propylurea
CID 11336543
4-(morpholin-4-yl)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}butanamide
CID 11338625
2-hydroxy-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}acetamide
CID 11392596
2-(dimethylamino)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}acetamide
CID 11439016
13-Amino-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-8-one
CID 11736764
3-Morpholin-4-ylmethyl-5H-phenanthridin-6-one
CID 44403357
N-[(2S)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide
CID 53900460

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-8-yl)butanamide?
The IUPAC name of 4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-8-yl)butanamide (CID 11165585) is 4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-8-yl)butanamide.
What is the SMILES notation for 4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-8-yl)butanamide?
The canonical SMILES for 4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-8-yl)butanamide is O=C(CCCN1CCOCC1)Nc1ccc2c(c1)-c1[nH]c(=O)c3ccccc3c1C2.
What is the InChIKey of 4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-8-yl)butanamide?
The InChIKey is ULUOHIWKHZERBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-22(6-3-9-27-10-12-30-13-11-27)25-17-8-7-16-14-21-18-4-1-2-5-19(18)24(29)26-23(21)20(16)15-17/h1-2,4-5,7-8,15H,3,6,9-14H2,(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-8-yl)butanamide?
4-morpholin-4-yl-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-8-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-8-yl)butanamide is sourced from PubChem (CID 11165585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).