4-[4-[6-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol

C25H27N5O4 — CID 122219230

IUPAC4-[4-[6-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol
SMILESOc1ccc(-n2cc(-c3ccc4cc(OCCOCCN5CCOCC5)ccc4n3)nn2)cc1
InChIInChI=1S/C25H27N5O4/c31-21-4-2-20(3-5-21)30-18-25(27-28-30)24-7-1-19-17-22(6-8-23(19)26-24)34-16-15-33-14-11-29-9-12-32-13-10-29/h1-8,17-18,31H,9-16H2
InChIKeyJMNUGDRNHVJVLV-UHFFFAOYSA-N
MW461.52 g/mol
LogP2.92
Rot. Bonds9

About 4-[4-[6-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol

4-[4-[6-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol (PubChem CID 122219230) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is 4-[4-[6-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[6-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol
PubChem CID122219230
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name4-[4-[6-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol
SMILESOc1ccc(-n2cc(-c3ccc4cc(OCCOCCN5CCOCC5)ccc4n3)nn2)cc1
InChIInChI=1S/C25H27N5O4/c31-21-4-2-20(3-5-21)30-18-25(27-28-30)24-7-1-19-17-22(6-8-23(19)26-24)34-16-15-33-14-11-29-9-12-32-13-10-29/h1-8,17-18,31H,9-16H2
InChIKeyJMNUGDRNHVJVLV-UHFFFAOYSA-N
XLogP2.92
TPSA94.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-[4-[6-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol?
The IUPAC name of 4-[4-[6-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol (CID 122219230) is 4-[4-[6-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol.
What is the SMILES notation for 4-[4-[6-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol?
The canonical SMILES for 4-[4-[6-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol is Oc1ccc(-n2cc(-c3ccc4cc(OCCOCCN5CCOCC5)ccc4n3)nn2)cc1.
What is the InChIKey of 4-[4-[6-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol?
The InChIKey is JMNUGDRNHVJVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c31-21-4-2-20(3-5-21)30-18-25(27-28-30)24-7-1-19-17-22(6-8-23(19)26-24)34-16-15-33-14-11-29-9-12-32-13-10-29/h1-8,17-18,31H,9-16H2.
What are the key properties of 4-[4-[6-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol?
4-[4-[6-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol has a molecular weight of 461.52 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol is sourced from PubChem (CID 122219230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).