N-(1-methyl-2-oxobenzo[cd]indol-6-yl)quinoline-8-sulfonamide

C21H15N3O3S — CID 155552169

IUPACN-(1-methyl-2-oxobenzo[cd]indol-6-yl)quinoline-8-sulfonamide
SMILESCN1C(=O)c2cccc3c(NS(=O)(=O)c4cccc5cccnc45)ccc1c23
InChIInChI=1S/C21H15N3O3S/c1-24-17-11-10-16(14-7-3-8-15(19(14)17)21(24)25)23-28(26,27)18-9-2-5-13-6-4-12-22-20(13)18/h2-12,23H,1H3
InChIKeyWEQBKOVLVSRJIT-UHFFFAOYSA-N
MW389.44 g/mol
LogP3.78
Rot. Bonds3

About N-(1-methyl-2-oxobenzo[cd]indol-6-yl)quinoline-8-sulfonamide

N-(1-methyl-2-oxobenzo[cd]indol-6-yl)quinoline-8-sulfonamide (PubChem CID 155552169) has the molecular formula C21H15N3O3S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-(1-methyl-2-oxobenzo[cd]indol-6-yl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxobenzo[cd]indol-6-yl)quinoline-8-sulfonamide
PubChem CID155552169
Molecular FormulaC21H15N3O3S
Molecular Weight389.44 g/mol
Exact Mass389.08
IUPAC NameN-(1-methyl-2-oxobenzo[cd]indol-6-yl)quinoline-8-sulfonamide
SMILESCN1C(=O)c2cccc3c(NS(=O)(=O)c4cccc5cccnc45)ccc1c23
InChIInChI=1S/C21H15N3O3S/c1-24-17-11-10-16(14-7-3-8-15(19(14)17)21(24)25)23-28(26,27)18-9-2-5-13-6-4-12-22-20(13)18/h2-12,23H,1H3
InChIKeyWEQBKOVLVSRJIT-UHFFFAOYSA-N
XLogP3.78
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxobenzo[cd]indol-6-yl)quinoline-8-sulfonamide?
The IUPAC name of N-(1-methyl-2-oxobenzo[cd]indol-6-yl)quinoline-8-sulfonamide (CID 155552169) is N-(1-methyl-2-oxobenzo[cd]indol-6-yl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(1-methyl-2-oxobenzo[cd]indol-6-yl)quinoline-8-sulfonamide?
The canonical SMILES for N-(1-methyl-2-oxobenzo[cd]indol-6-yl)quinoline-8-sulfonamide is CN1C(=O)c2cccc3c(NS(=O)(=O)c4cccc5cccnc45)ccc1c23.
What is the InChIKey of N-(1-methyl-2-oxobenzo[cd]indol-6-yl)quinoline-8-sulfonamide?
The InChIKey is WEQBKOVLVSRJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3S/c1-24-17-11-10-16(14-7-3-8-15(19(14)17)21(24)25)23-28(26,27)18-9-2-5-13-6-4-12-22-20(13)18/h2-12,23H,1H3.
What are the key properties of N-(1-methyl-2-oxobenzo[cd]indol-6-yl)quinoline-8-sulfonamide?
N-(1-methyl-2-oxobenzo[cd]indol-6-yl)quinoline-8-sulfonamide has a molecular weight of 389.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxobenzo[cd]indol-6-yl)quinoline-8-sulfonamide is sourced from PubChem (CID 155552169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).