quinolin-4-yl 1-(5-fluoropentyl)indole-3-carboxylate

C23H21FN2O2 — CID 124518883

IUPACquinolin-4-yl 1-(5-fluoropentyl)indole-3-carboxylate
SMILESO=C(Oc1ccnc2ccccc12)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C23H21FN2O2/c24-13-6-1-7-15-26-16-19(17-8-3-5-11-21(17)26)23(27)28-22-12-14-25-20-10-4-2-9-18(20)22/h2-5,8-12,14,16H,1,6-7,13,15H2
InChIKeyDGYDJIOQSQDDAR-UHFFFAOYSA-N
MW376.43 g/mol
LogP5.55
Rot. Bonds7

About quinolin-4-yl 1-(5-fluoropentyl)indole-3-carboxylate

quinolin-4-yl 1-(5-fluoropentyl)indole-3-carboxylate (PubChem CID 124518883) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is quinolin-4-yl 1-(5-fluoropentyl)indole-3-carboxylate.

Molecular Properties

Compound Namequinolin-4-yl 1-(5-fluoropentyl)indole-3-carboxylate
PubChem CID124518883
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Namequinolin-4-yl 1-(5-fluoropentyl)indole-3-carboxylate
SMILESO=C(Oc1ccnc2ccccc12)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C23H21FN2O2/c24-13-6-1-7-15-26-16-19(17-8-3-5-11-21(17)26)23(27)28-22-12-14-25-20-10-4-2-9-18(20)22/h2-5,8-12,14,16H,1,6-7,13,15H2
InChIKeyDGYDJIOQSQDDAR-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-4-yl 1-(5-fluoropentyl)indole-3-carboxylate?
The IUPAC name of quinolin-4-yl 1-(5-fluoropentyl)indole-3-carboxylate (CID 124518883) is quinolin-4-yl 1-(5-fluoropentyl)indole-3-carboxylate.
What is the SMILES notation for quinolin-4-yl 1-(5-fluoropentyl)indole-3-carboxylate?
The canonical SMILES for quinolin-4-yl 1-(5-fluoropentyl)indole-3-carboxylate is O=C(Oc1ccnc2ccccc12)c1cn(CCCCCF)c2ccccc12.
What is the InChIKey of quinolin-4-yl 1-(5-fluoropentyl)indole-3-carboxylate?
The InChIKey is DGYDJIOQSQDDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c24-13-6-1-7-15-26-16-19(17-8-3-5-11-21(17)26)23(27)28-22-12-14-25-20-10-4-2-9-18(20)22/h2-5,8-12,14,16H,1,6-7,13,15H2.
What are the key properties of quinolin-4-yl 1-(5-fluoropentyl)indole-3-carboxylate?
quinolin-4-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-4-yl 1-(5-fluoropentyl)indole-3-carboxylate is sourced from PubChem (CID 124518883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).