4-[4-[6-(2-methoxyethoxy)quinolin-2-yl]triazol-1-yl]phenol

C20H18N4O3 — CID 90684377

IUPAC4-[4-[6-(2-methoxyethoxy)quinolin-2-yl]triazol-1-yl]phenol
SMILESCOCCOc1ccc2nc(-c3cn(-c4ccc(O)cc4)nn3)ccc2c1
InChIInChI=1S/C20H18N4O3/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(21-18)20-13-24(23-22-20)15-3-5-16(25)6-4-15/h2-9,12-13,25H,10-11H2,1H3
InChIKeyRDMXBXKUWXFIGH-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.21
Rot. Bonds6

About 4-[4-[6-(2-methoxyethoxy)quinolin-2-yl]triazol-1-yl]phenol

4-[4-[6-(2-methoxyethoxy)quinolin-2-yl]triazol-1-yl]phenol (PubChem CID 90684377) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-[4-[6-(2-methoxyethoxy)quinolin-2-yl]triazol-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[6-(2-methoxyethoxy)quinolin-2-yl]triazol-1-yl]phenol
PubChem CID90684377
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name4-[4-[6-(2-methoxyethoxy)quinolin-2-yl]triazol-1-yl]phenol
SMILESCOCCOc1ccc2nc(-c3cn(-c4ccc(O)cc4)nn3)ccc2c1
InChIInChI=1S/C20H18N4O3/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(21-18)20-13-24(23-22-20)15-3-5-16(25)6-4-15/h2-9,12-13,25H,10-11H2,1H3
InChIKeyRDMXBXKUWXFIGH-UHFFFAOYSA-N
XLogP3.21
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(Quinolin-2-Yl)-1h-1,2,3-Triazol-1-Yl]phenol
CID 90684376
8-ethoxy-3-(3-methoxyphenyl)-1-phenyl-1H-pyrazolo[4,3-c]quinoline
CID 15990640
4-[4-[1-(4-Quinolyloxy)ethyl]triazol-1-yl]benzonitrile
CID 44222803
6-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 68578314
3-[1-[8-(2-Phenylphenoxy)octyl]triazol-4-yl]pyridine
CID 86305868
3-[1-[7-(2-Phenylphenoxy)heptyl]triazol-4-yl]pyridine
CID 86305869
3-[1-[6-(2-Phenylphenoxy)hexyl]triazol-4-yl]pyridine
CID 86305870
2-[5-(5-Methoxyindazol-1-yl)-3-pyridinyl]propan-2-ol
CID 90252835
2-Fluoro-4-[4-[5-[3-(2-methoxyethoxy)phenoxy]quinolin-2-yl]triazol-1-yl]phenol
CID 91667574
4-[4-[6-[2-(2-Morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol
CID 122219230
2-Fluoro-4-[4-[6-[2-(2-morpholin-4-ylethoxy)ethoxy]quinolin-2-yl]triazol-1-yl]phenol
CID 122219231
2-[2-[1-(3-Fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-6-yl]oxyacetic acid
CID 122457239

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(2-methoxyethoxy)quinolin-2-yl]triazol-1-yl]phenol?
The IUPAC name of 4-[4-[6-(2-methoxyethoxy)quinolin-2-yl]triazol-1-yl]phenol (CID 90684377) is 4-[4-[6-(2-methoxyethoxy)quinolin-2-yl]triazol-1-yl]phenol.
What is the SMILES notation for 4-[4-[6-(2-methoxyethoxy)quinolin-2-yl]triazol-1-yl]phenol?
The canonical SMILES for 4-[4-[6-(2-methoxyethoxy)quinolin-2-yl]triazol-1-yl]phenol is COCCOc1ccc2nc(-c3cn(-c4ccc(O)cc4)nn3)ccc2c1.
What is the InChIKey of 4-[4-[6-(2-methoxyethoxy)quinolin-2-yl]triazol-1-yl]phenol?
The InChIKey is RDMXBXKUWXFIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(21-18)20-13-24(23-22-20)15-3-5-16(25)6-4-15/h2-9,12-13,25H,10-11H2,1H3.
What are the key properties of 4-[4-[6-(2-methoxyethoxy)quinolin-2-yl]triazol-1-yl]phenol?
4-[4-[6-(2-methoxyethoxy)quinolin-2-yl]triazol-1-yl]phenol has a molecular weight of 362.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(2-methoxyethoxy)quinolin-2-yl]triazol-1-yl]phenol is sourced from PubChem (CID 90684377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).