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

C22H20N4O3S — CID 10002219

IUPACN-(3-imidazol-1-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
SMILESO=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCn3ccnc3)ccc1-2
InChIInChI=1S/C22H20N4O3S/c27-22-19-5-2-1-4-18(19)20-13-15-12-16(6-7-17(15)21(20)25-22)30(28,29)24-8-3-10-26-11-9-23-14-26/h1-2,4-7,9,11-12,14,24H,3,8,10,13H2,(H,25,27)
InChIKeyQCWLOIVYNILCTC-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.66
Rot. Bonds6

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

N-(3-imidazol-1-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide (PubChem CID 10002219) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
PubChem CID10002219
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
SMILESO=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCn3ccnc3)ccc1-2
InChIInChI=1S/C22H20N4O3S/c27-22-19-5-2-1-4-18(19)20-13-15-12-16(6-7-17(15)21(20)25-22)30(28,29)24-8-3-10-26-11-9-23-14-26/h1-2,4-7,9,11-12,14,24H,3,8,10,13H2,(H,25,27)
InChIKeyQCWLOIVYNILCTC-UHFFFAOYSA-N
XLogP2.66
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide (CID 10002219) is N-(3-imidazol-1-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide is O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCn3ccnc3)ccc1-2.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
The InChIKey is QCWLOIVYNILCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c27-22-19-5-2-1-4-18(19)20-13-15-12-16(6-7-17(15)21(20)25-22)30(28,29)24-8-3-10-26-11-9-23-14-26/h1-2,4-7,9,11-12,14,24H,3,8,10,13H2,(H,25,27).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
N-(3-imidazol-1-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide has a molecular weight of 420.49 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide is sourced from PubChem (CID 10002219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).