5-(benzotriazol-1-yloxymethyl)quinolin-8-ol

C16H12N4O2 — CID 155539142

IUPAC5-(benzotriazol-1-yloxymethyl)quinolin-8-ol
SMILESOc1ccc(COn2nnc3ccccc32)c2cccnc12
InChIInChI=1S/C16H12N4O2/c21-15-8-7-11(12-4-3-9-17-16(12)15)10-22-20-14-6-2-1-5-13(14)18-19-20/h1-9,21H,10H2
InChIKeyFEIXONKJUYDGKE-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.31
Rot. Bonds3

About 5-(benzotriazol-1-yloxymethyl)quinolin-8-ol

5-(benzotriazol-1-yloxymethyl)quinolin-8-ol (PubChem CID 155539142) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 5-(benzotriazol-1-yloxymethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-(benzotriazol-1-yloxymethyl)quinolin-8-ol
PubChem CID155539142
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name5-(benzotriazol-1-yloxymethyl)quinolin-8-ol
SMILESOc1ccc(COn2nnc3ccccc32)c2cccnc12
InChIInChI=1S/C16H12N4O2/c21-15-8-7-11(12-4-3-9-17-16(12)15)10-22-20-14-6-2-1-5-13(14)18-19-20/h1-9,21H,10H2
InChIKeyFEIXONKJUYDGKE-UHFFFAOYSA-N
XLogP2.31
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(Hydroxymethyl)quinolin-8-ol
CID 675786
5-[(8-Hydroxyquinolin-5-yl)methyl]quinolin-8-ol
CID 761547
5-(Phenylmethyl)-8-quinolinol
CID 81403
5,5'-(2-(Pyrrolidin-1-yl)ethylazanediyl)bis(methylene)diquinolin-8-ol
CID 45112673
5-Benzyloxymethyl-quinolin-8-ol
CID 6603466
5-(Benzotriazol-1-ylmethyl)quinolin-8-ol
CID 155560213
5-[(E)-2-phenylethenyl]quinolin-8-ol
CID 44460165
5-[(Benzyloxy)methyl]quinolin-8-ol
CID 650917
5-[[(8-Hydroxyquinolin-5-yl)methyl-[(1-methylpyrrol-2-yl)methyl]amino]methyl]quinolin-8-ol
CID 45112671
5-(2-Phenylethyl)-8-quinolinol
CID 10490845
5-(Benzotriazol-1-ylmethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145976771
5-[(1-Benzylpyrrolidin-3-yl)oxymethyl]quinolin-8-ol
CID 44460151

Frequently Asked Questions

What is the IUPAC name of 5-(benzotriazol-1-yloxymethyl)quinolin-8-ol?
The IUPAC name of 5-(benzotriazol-1-yloxymethyl)quinolin-8-ol (CID 155539142) is 5-(benzotriazol-1-yloxymethyl)quinolin-8-ol.
What is the SMILES notation for 5-(benzotriazol-1-yloxymethyl)quinolin-8-ol?
The canonical SMILES for 5-(benzotriazol-1-yloxymethyl)quinolin-8-ol is Oc1ccc(COn2nnc3ccccc32)c2cccnc12.
What is the InChIKey of 5-(benzotriazol-1-yloxymethyl)quinolin-8-ol?
The InChIKey is FEIXONKJUYDGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c21-15-8-7-11(12-4-3-9-17-16(12)15)10-22-20-14-6-2-1-5-13(14)18-19-20/h1-9,21H,10H2.
What are the key properties of 5-(benzotriazol-1-yloxymethyl)quinolin-8-ol?
5-(benzotriazol-1-yloxymethyl)quinolin-8-ol has a molecular weight of 292.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzotriazol-1-yloxymethyl)quinolin-8-ol is sourced from PubChem (CID 155539142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).