4-[2-[2-[2-[1-(4-fluorophenyl)triazol-4-yl]quinolin-8-yl]oxyethoxy]ethyl]morpholine

C25H26FN5O3 — CID 155092095

IUPAC4-[2-[2-[2-[1-(4-fluorophenyl)triazol-4-yl]quinolin-8-yl]oxyethoxy]ethyl]morpholine
SMILESFc1ccc(-n2cc(-c3ccc4cccc(OCCOCCN5CCOCC5)c4n3)nn2)cc1
InChIInChI=1S/C25H26FN5O3/c26-20-5-7-21(8-6-20)31-18-23(28-29-31)22-9-4-19-2-1-3-24(25(19)27-22)34-17-16-33-15-12-30-10-13-32-14-11-30/h1-9,18H,10-17H2
InChIKeyHJKNJAPHTQTBJK-UHFFFAOYSA-N
MW463.51 g/mol
LogP3.35
Rot. Bonds9

About 4-[2-[2-[2-[1-(4-fluorophenyl)triazol-4-yl]quinolin-8-yl]oxyethoxy]ethyl]morpholine

4-[2-[2-[2-[1-(4-fluorophenyl)triazol-4-yl]quinolin-8-yl]oxyethoxy]ethyl]morpholine (PubChem CID 155092095) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is 4-[2-[2-[2-[1-(4-fluorophenyl)triazol-4-yl]quinolin-8-yl]oxyethoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-[2-[1-(4-fluorophenyl)triazol-4-yl]quinolin-8-yl]oxyethoxy]ethyl]morpholine
PubChem CID155092095
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC Name4-[2-[2-[2-[1-(4-fluorophenyl)triazol-4-yl]quinolin-8-yl]oxyethoxy]ethyl]morpholine
SMILESFc1ccc(-n2cc(-c3ccc4cccc(OCCOCCN5CCOCC5)c4n3)nn2)cc1
InChIInChI=1S/C25H26FN5O3/c26-20-5-7-21(8-6-20)31-18-23(28-29-31)22-9-4-19-2-1-3-24(25(19)27-22)34-17-16-33-15-12-30-10-13-32-14-11-30/h1-9,18H,10-17H2
InChIKeyHJKNJAPHTQTBJK-UHFFFAOYSA-N
XLogP3.35
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 4-[2-[2-[2-[1-(4-fluorophenyl)triazol-4-yl]quinolin-8-yl]oxyethoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[2-[2-[1-(4-fluorophenyl)triazol-4-yl]quinolin-8-yl]oxyethoxy]ethyl]morpholine (CID 155092095) is 4-[2-[2-[2-[1-(4-fluorophenyl)triazol-4-yl]quinolin-8-yl]oxyethoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-[2-[1-(4-fluorophenyl)triazol-4-yl]quinolin-8-yl]oxyethoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-[2-[1-(4-fluorophenyl)triazol-4-yl]quinolin-8-yl]oxyethoxy]ethyl]morpholine is Fc1ccc(-n2cc(-c3ccc4cccc(OCCOCCN5CCOCC5)c4n3)nn2)cc1.
What is the InChIKey of 4-[2-[2-[2-[1-(4-fluorophenyl)triazol-4-yl]quinolin-8-yl]oxyethoxy]ethyl]morpholine?
The InChIKey is HJKNJAPHTQTBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3/c26-20-5-7-21(8-6-20)31-18-23(28-29-31)22-9-4-19-2-1-3-24(25(19)27-22)34-17-16-33-15-12-30-10-13-32-14-11-30/h1-9,18H,10-17H2.
What are the key properties of 4-[2-[2-[2-[1-(4-fluorophenyl)triazol-4-yl]quinolin-8-yl]oxyethoxy]ethyl]morpholine?
4-[2-[2-[2-[1-(4-fluorophenyl)triazol-4-yl]quinolin-8-yl]oxyethoxy]ethyl]morpholine has a molecular weight of 463.51 g/mol, XLogP of 3.35, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[1-(4-fluorophenyl)triazol-4-yl]quinolin-8-yl]oxyethoxy]ethyl]morpholine is sourced from PubChem (CID 155092095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).