N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine

C21H23N5O2S — CID 69262416

IUPACN-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine
SMILESCN(C)CCc1c[nH]c2ccc(NS(=O)(=O)Nc3cccc4cccnc34)cc12
InChIInChI=1S/C21H23N5O2S/c1-26(2)12-10-16-14-23-19-9-8-17(13-18(16)19)24-29(27,28)25-20-7-3-5-15-6-4-11-22-21(15)20/h3-9,11,13-14,23-25H,10,12H2,1-2H3
InChIKeyKASFZWCMEGYDPF-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.59
Rot. Bonds7

About N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine

N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine (PubChem CID 69262416) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine
PubChem CID69262416
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC NameN-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine
SMILESCN(C)CCc1c[nH]c2ccc(NS(=O)(=O)Nc3cccc4cccnc34)cc12
InChIInChI=1S/C21H23N5O2S/c1-26(2)12-10-16-14-23-19-9-8-17(13-18(16)19)24-29(27,28)25-20-7-3-5-15-6-4-11-22-21(15)20/h3-9,11,13-14,23-25H,10,12H2,1-2H3
InChIKeyKASFZWCMEGYDPF-UHFFFAOYSA-N
XLogP3.59
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_E(2)', 'substructure': 'N/A'}

Analyze N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide
CID 10294044
3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine
CID 69262700
5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide
CID 10224430
3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide
CID 19844112
N-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 69265044
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea
CID 19040763
2-[5-[(5-chloronaphthalen-2-yl)sulfonylmethyl]-1H-indol-3-yl]-N,N-dimethylethanamine
CID 160688645
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide
CID 5228855
N,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine
CID 176862279
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
2-[2-(1H-indol-3-yl)ethylamino]-N-quinolin-8-ylacetamide
CID 109002395

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine?
The IUPAC name of N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine (CID 69262416) is N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine.
What is the SMILES notation for N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine?
The canonical SMILES for N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine is CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)Nc3cccc4cccnc34)cc12.
What is the InChIKey of N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine?
The InChIKey is KASFZWCMEGYDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-26(2)12-10-16-14-23-19-9-8-17(13-18(16)19)24-29(27,28)25-20-7-3-5-15-6-4-11-22-21(15)20/h3-9,11,13-14,23-25H,10,12H2,1-2H3.
What are the key properties of N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine?
N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine has a molecular weight of 409.52 g/mol, XLogP of 3.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine is sourced from PubChem (CID 69262416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).