quinolin-3-yl 1-(5-fluoropentyl)indole-3-carboxylate

C23H21FN2O2 — CID 124518900

IUPACquinolin-3-yl 1-(5-fluoropentyl)indole-3-carboxylate
SMILESO=C(Oc1cnc2ccccc2c1)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C23H21FN2O2/c24-12-6-1-7-13-26-16-20(19-9-3-5-11-22(19)26)23(27)28-18-14-17-8-2-4-10-21(17)25-15-18/h2-5,8-11,14-16H,1,6-7,12-13H2
InChIKeyXUWUBKLJGGHABS-UHFFFAOYSA-N
MW376.43 g/mol
LogP5.55
Rot. Bonds7

About quinolin-3-yl 1-(5-fluoropentyl)indole-3-carboxylate

quinolin-3-yl 1-(5-fluoropentyl)indole-3-carboxylate (PubChem CID 124518900) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is quinolin-3-yl 1-(5-fluoropentyl)indole-3-carboxylate.

Molecular Properties

Compound Namequinolin-3-yl 1-(5-fluoropentyl)indole-3-carboxylate
PubChem CID124518900
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Namequinolin-3-yl 1-(5-fluoropentyl)indole-3-carboxylate
SMILESO=C(Oc1cnc2ccccc2c1)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C23H21FN2O2/c24-12-6-1-7-13-26-16-20(19-9-3-5-11-22(19)26)23(27)28-18-14-17-8-2-4-10-21(17)25-15-18/h2-5,8-11,14-16H,1,6-7,12-13H2
InChIKeyXUWUBKLJGGHABS-UHFFFAOYSA-N
XLogP5.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.43
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of quinolin-3-yl 1-(5-fluoropentyl)indole-3-carboxylate?
The IUPAC name of quinolin-3-yl 1-(5-fluoropentyl)indole-3-carboxylate (CID 124518900) is quinolin-3-yl 1-(5-fluoropentyl)indole-3-carboxylate.
What is the SMILES notation for quinolin-3-yl 1-(5-fluoropentyl)indole-3-carboxylate?
The canonical SMILES for quinolin-3-yl 1-(5-fluoropentyl)indole-3-carboxylate is O=C(Oc1cnc2ccccc2c1)c1cn(CCCCCF)c2ccccc12.
What is the InChIKey of quinolin-3-yl 1-(5-fluoropentyl)indole-3-carboxylate?
The InChIKey is XUWUBKLJGGHABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c24-12-6-1-7-13-26-16-20(19-9-3-5-11-22(19)26)23(27)28-18-14-17-8-2-4-10-21(17)25-15-18/h2-5,8-11,14-16H,1,6-7,12-13H2.
What are the key properties of quinolin-3-yl 1-(5-fluoropentyl)indole-3-carboxylate?
quinolin-3-yl 1-(5-fluoropentyl)indole-3-carboxylate has a molecular weight of 376.43 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-3-yl 1-(5-fluoropentyl)indole-3-carboxylate is sourced from PubChem (CID 124518900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).