8-fluoro-N-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide

C23H24FN3O4S — CID 11248095

IUPAC8-fluoro-N-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
SMILESO=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)c(F)cc1-2
InChIInChI=1S/C23H24FN3O4S/c24-20-14-18-15(12-19-16-4-1-2-5-17(16)23(28)26-22(18)19)13-21(20)32(29,30)25-6-3-7-27-8-10-31-11-9-27/h1-2,4-5,13-14,25H,3,6-12H2,(H,26,28)
InChIKeyQLEJHQWPVBZHON-UHFFFAOYSA-N
MW457.53 g/mol
LogP2.24
Rot. Bonds6

About 8-fluoro-N-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide

8-fluoro-N-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide (PubChem CID 11248095) has the molecular formula C23H24FN3O4S and a molecular weight of 457.53 g/mol. Its IUPAC name is 8-fluoro-N-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide.

Molecular Properties

Compound Name8-fluoro-N-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
PubChem CID11248095
Molecular FormulaC23H24FN3O4S
Molecular Weight457.53 g/mol
Exact Mass457.15
IUPAC Name8-fluoro-N-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
SMILESO=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)c(F)cc1-2
InChIInChI=1S/C23H24FN3O4S/c24-20-14-18-15(12-19-16-4-1-2-5-17(16)23(28)26-22(18)19)13-21(20)32(29,30)25-6-3-7-27-8-10-31-11-9-27/h1-2,4-5,13-14,25H,3,6-12H2,(H,26,28)
InChIKeyQLEJHQWPVBZHON-UHFFFAOYSA-N
XLogP2.24
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-fluoro-N-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide with MolForge

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Related Compounds

INO-1001 free base
CID 9889396
Ino-1001
CID 11272610
13-fluoro-N-(morpholin-4-yl)-8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-14-sulfonamide
CID 25190933
8-oxo-N-(3-phenylpropyl)-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-14-sulfonamide
CID 11464583
Indeno[1,2-c]isoquinolinone, 14
CID 11157496
N-Cyclopentyl-2-methyl-5-(morpholine-4-sulfonyl)-benzamide
CID 1087796
N-benzyl-2-fluoro-5-(4-morpholinylsulfonyl)benzamide
CID 2107276
N-[3-(dimethylamino)propyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2427623
N-(cyclohexylmethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2569803
2-fluoro-N-[(4-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide
CID 2668611
N-Benzyl-4-fluoro-3-(morpholine-4-sulfonyl)-benzamide
CID 2711952
N-(4-fluorobenzyl)-3-(morpholin-4-ylsulfonyl)benzamide
CID 2712753

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
The IUPAC name of 8-fluoro-N-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide (CID 11248095) is 8-fluoro-N-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide.
What is the SMILES notation for 8-fluoro-N-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
The canonical SMILES for 8-fluoro-N-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide is O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)c(F)cc1-2.
What is the InChIKey of 8-fluoro-N-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
The InChIKey is QLEJHQWPVBZHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4S/c24-20-14-18-15(12-19-16-4-1-2-5-17(16)23(28)26-22(18)19)13-21(20)32(29,30)25-6-3-7-27-8-10-31-11-9-27/h1-2,4-5,13-14,25H,3,6-12H2,(H,26,28).
What are the key properties of 8-fluoro-N-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
8-fluoro-N-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide has a molecular weight of 457.53 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide is sourced from PubChem (CID 11248095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).