3-[4-(quinolin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile

C23H22N4 — CID 10043717

IUPAC3-[4-(quinolin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CCCCNCc3cnc4ccccc4c3)c2c1
InChIInChI=1S/C23H22N4/c24-13-17-8-9-23-21(12-17)20(16-27-23)6-3-4-10-25-14-18-11-19-5-1-2-7-22(19)26-15-18/h1-2,5,7-9,11-12,15-16,25,27H,3-4,6,10,14H2
InChIKeyLDESUJQFCUFLFA-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.70
Rot. Bonds7

About 3-[4-(quinolin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile

3-[4-(quinolin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile (PubChem CID 10043717) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-[4-(quinolin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[4-(quinolin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile
PubChem CID10043717
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name3-[4-(quinolin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CCCCNCc3cnc4ccccc4c3)c2c1
InChIInChI=1S/C23H22N4/c24-13-17-8-9-23-21(12-17)20(16-27-23)6-3-4-10-25-14-18-11-19-5-1-2-7-22(19)26-15-18/h1-2,5,7-9,11-12,15-16,25,27H,3-4,6,10,14H2
InChIKeyLDESUJQFCUFLFA-UHFFFAOYSA-N
XLogP4.70
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-(quinolin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile 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

3-[4-(pyridin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile
CID 10470310
3-[4-[2-[(4-benzyl-1,2,5-thiadiazol-3-yl)oxy]ethylamino]butyl]-1H-indole-5-carbonitrile
CID 68841353
3-[4-[2-(2,1,3-benzoxadiazol-5-yloxy)ethylamino]butyl]-1H-indole-5-carbonitrile
CID 10248888
3-(5-oxopentyl)-1H-indole-5-carbonitrile
CID 90054583
ethane;methane;3-pentyl-1H-indole-5-carbonitrile
CID 142891343
3-[4-[ethyl(pyridin-3-yl)amino]butyl]-1H-indole-5-carbonitrile
CID 10313828
formic acid;4-(quinolin-3-ylmethylamino)benzonitrile
CID 171677640
5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide
CID 69143814
5-[3-[4-(5-cyano-1H-indol-3-yl)butylamino]propanoylamino]-1-benzofuran-2-carboxylic acid
CID 69144819
3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 58656074
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
3-[3-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methylamino]propyl]-1H-indole-5-carbonitrile
CID 10386377

Frequently Asked Questions

What is the IUPAC name of 3-[4-(quinolin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[4-(quinolin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile (CID 10043717) is 3-[4-(quinolin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[4-(quinolin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[4-(quinolin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(CCCCNCc3cnc4ccccc4c3)c2c1.
What is the InChIKey of 3-[4-(quinolin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile?
The InChIKey is LDESUJQFCUFLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c24-13-17-8-9-23-21(12-17)20(16-27-23)6-3-4-10-25-14-18-11-19-5-1-2-7-22(19)26-15-18/h1-2,5,7-9,11-12,15-16,25,27H,3-4,6,10,14H2.
What are the key properties of 3-[4-(quinolin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile?
3-[4-(quinolin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile has a molecular weight of 354.46 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(quinolin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 10043717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).