2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1-oxido-1,2,3,4-tetrahydroquinolin-1-ium

C26H32FN3O — CID 23030999

IUPAC2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1-oxido-1,2,3,4-tetrahydroquinolin-1-ium
SMILES[O-][NH+]1c2ccccc2CCC1CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C26H32FN3O/c27-21-9-11-25-23(17-21)24(18-28-25)19-12-15-29(16-13-19)14-4-3-6-22-10-8-20-5-1-2-7-26(20)30(22)31/h1-2,5,7,9,11,17-19,22,28,30H,3-4,6,8,10,12-16H2
InChIKeyQNDWFQDMMOLGBJ-UHFFFAOYSA-N
MW421.56 g/mol
LogP4.69
Rot. Bonds6

About 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1-oxido-1,2,3,4-tetrahydroquinolin-1-ium

2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1-oxido-1,2,3,4-tetrahydroquinolin-1-ium (PubChem CID 23030999) has the molecular formula C26H32FN3O and a molecular weight of 421.56 g/mol. Its IUPAC name is 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1-oxido-1,2,3,4-tetrahydroquinolin-1-ium.

Molecular Properties

Compound Name2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1-oxido-1,2,3,4-tetrahydroquinolin-1-ium
PubChem CID23030999
Molecular FormulaC26H32FN3O
Molecular Weight421.56 g/mol
Exact Mass421.25
IUPAC Name2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1-oxido-1,2,3,4-tetrahydroquinolin-1-ium
SMILES[O-][NH+]1c2ccccc2CCC1CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C26H32FN3O/c27-21-9-11-25-23(17-21)24(18-28-25)19-12-15-29(16-13-19)14-4-3-6-22-10-8-20-5-1-2-7-26(20)30(22)31/h1-2,5,7,9,11,17-19,22,28,30H,3-4,6,8,10,12-16H2
InChIKeyQNDWFQDMMOLGBJ-UHFFFAOYSA-N
XLogP4.69
TPSA46.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1-oxido-1,2,3,4-tetrahydroquinolin-1-ium 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

1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one
CID 22483998
4-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1,4-benzoxazin-3-one
CID 12992366
3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole
CID 16665917
3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 155535386
3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile
CID 10134202
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
1-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 155562519
5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole
CID 10182471
3-(5-fluoro-1H-indol-3-yl)-1-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione
CID 155524228
6-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-9,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one
CID 25012822
2-(5-fluoro-1H-indol-3-yl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901
(E)-but-2-enedioic acid;3-[1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-5-fluoro-1H-indole
CID 18545878

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1-oxido-1,2,3,4-tetrahydroquinolin-1-ium?
The IUPAC name of 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1-oxido-1,2,3,4-tetrahydroquinolin-1-ium (CID 23030999) is 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1-oxido-1,2,3,4-tetrahydroquinolin-1-ium.
What is the SMILES notation for 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1-oxido-1,2,3,4-tetrahydroquinolin-1-ium?
The canonical SMILES for 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1-oxido-1,2,3,4-tetrahydroquinolin-1-ium is [O-][NH+]1c2ccccc2CCC1CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1-oxido-1,2,3,4-tetrahydroquinolin-1-ium?
The InChIKey is QNDWFQDMMOLGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O/c27-21-9-11-25-23(17-21)24(18-28-25)19-12-15-29(16-13-19)14-4-3-6-22-10-8-20-5-1-2-7-26(20)30(22)31/h1-2,5,7,9,11,17-19,22,28,30H,3-4,6,8,10,12-16H2.
What are the key properties of 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1-oxido-1,2,3,4-tetrahydroquinolin-1-ium?
2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1-oxido-1,2,3,4-tetrahydroquinolin-1-ium has a molecular weight of 421.56 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1-oxido-1,2,3,4-tetrahydroquinolin-1-ium is sourced from PubChem (CID 23030999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).