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

C23H25FN4O4S — CID 11408838

IUPAC8-fluoro-N-[3-(morpholin-4-ylamino)propyl]-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
SMILESO=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCNN3CCOCC3)c(F)cc1-2
InChIInChI=1S/C23H25FN4O4S/c24-20-14-18-15(12-19-16-4-1-2-5-17(16)23(29)27-22(18)19)13-21(20)33(30,31)26-7-3-6-25-28-8-10-32-11-9-28/h1-2,4-5,13-14,25-26H,3,6-12H2,(H,27,29)
InChIKeyYOAYRBMFVGMLAA-UHFFFAOYSA-N
MW472.54 g/mol
LogP1.74
Rot. Bonds7

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

8-fluoro-N-[3-(morpholin-4-ylamino)propyl]-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide (PubChem CID 11408838) has the molecular formula C23H25FN4O4S and a molecular weight of 472.54 g/mol. Its IUPAC name is 8-fluoro-N-[3-(morpholin-4-ylamino)propyl]-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide.

Molecular Properties

Compound Name8-fluoro-N-[3-(morpholin-4-ylamino)propyl]-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
PubChem CID11408838
Molecular FormulaC23H25FN4O4S
Molecular Weight472.54 g/mol
Exact Mass472.16
IUPAC Name8-fluoro-N-[3-(morpholin-4-ylamino)propyl]-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
SMILESO=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCNN3CCOCC3)c(F)cc1-2
InChIInChI=1S/C23H25FN4O4S/c24-20-14-18-15(12-19-16-4-1-2-5-17(16)23(29)27-22(18)19)13-21(20)33(30,31)26-7-3-6-25-28-8-10-32-11-9-28/h1-2,4-5,13-14,25-26H,3,6-12H2,(H,27,29)
InChIKeyYOAYRBMFVGMLAA-UHFFFAOYSA-N
XLogP1.74
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[3-(morpholin-4-ylamino)propyl]-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
The IUPAC name of 8-fluoro-N-[3-(morpholin-4-ylamino)propyl]-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide (CID 11408838) is 8-fluoro-N-[3-(morpholin-4-ylamino)propyl]-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide.
What is the SMILES notation for 8-fluoro-N-[3-(morpholin-4-ylamino)propyl]-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
The canonical SMILES for 8-fluoro-N-[3-(morpholin-4-ylamino)propyl]-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide is O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCNN3CCOCC3)c(F)cc1-2.
What is the InChIKey of 8-fluoro-N-[3-(morpholin-4-ylamino)propyl]-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
The InChIKey is YOAYRBMFVGMLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4S/c24-20-14-18-15(12-19-16-4-1-2-5-17(16)23(29)27-22(18)19)13-21(20)33(30,31)26-7-3-6-25-28-8-10-32-11-9-28/h1-2,4-5,13-14,25-26H,3,6-12H2,(H,27,29).
What are the key properties of 8-fluoro-N-[3-(morpholin-4-ylamino)propyl]-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
8-fluoro-N-[3-(morpholin-4-ylamino)propyl]-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide has a molecular weight of 472.54 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[3-(morpholin-4-ylamino)propyl]-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide is sourced from PubChem (CID 11408838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).