1-[3-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]propyl]piperidine-4-carboxylic acid

C26H27N3O4 — CID 5329374

IUPAC1-[3-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]propyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCCOc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1
InChIInChI=1S/C26H27N3O4/c30-25-21(15-18-4-1-2-5-22(18)28-25)24-16-19-14-20(6-7-23(19)27-24)33-13-3-10-29-11-8-17(9-12-29)26(31)32/h1-2,4-7,14-17,27H,3,8-13H2,(H,28,30)(H,31,32)
InChIKeyUMILXTHDUASSHT-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.24
Rot. Bonds7

About 1-[3-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]propyl]piperidine-4-carboxylic acid

1-[3-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]propyl]piperidine-4-carboxylic acid (PubChem CID 5329374) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 1-[3-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]propyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]propyl]piperidine-4-carboxylic acid
PubChem CID5329374
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name1-[3-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]propyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCCOc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1
InChIInChI=1S/C26H27N3O4/c30-25-21(15-18-4-1-2-5-22(18)28-25)24-16-19-14-20(6-7-23(19)27-24)33-13-3-10-29-11-8-17(9-12-29)26(31)32/h1-2,4-7,14-17,27H,3,8-13H2,(H,28,30)(H,31,32)
InChIKeyUMILXTHDUASSHT-UHFFFAOYSA-N
XLogP4.24
TPSA98.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]propyl]piperidine-4-carboxylic acid 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 1-[3-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]propyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]propyl]piperidine-4-carboxylic acid (CID 5329374) is 1-[3-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]propyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]propyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]propyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(CCCOc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1.
What is the InChIKey of 1-[3-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]propyl]piperidine-4-carboxylic acid?
The InChIKey is UMILXTHDUASSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c30-25-21(15-18-4-1-2-5-22(18)28-25)24-16-19-14-20(6-7-23(19)27-24)33-13-3-10-29-11-8-17(9-12-29)26(31)32/h1-2,4-7,14-17,27H,3,8-13H2,(H,28,30)(H,31,32).
What are the key properties of 1-[3-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]propyl]piperidine-4-carboxylic acid?
1-[3-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]propyl]piperidine-4-carboxylic acid has a molecular weight of 445.52 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]propyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 5329374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).