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

C16H12N4O — CID 155560213

IUPAC5-(benzotriazol-1-ylmethyl)quinolin-8-ol
SMILESOc1ccc(Cn2nnc3ccccc32)c2cccnc12
InChIInChI=1S/C16H12N4O/c21-15-8-7-11(12-4-3-9-17-16(12)15)10-20-14-6-2-1-5-13(14)18-19-20/h1-9,21H,10H2
InChIKeyORGIQKWUTQHCFB-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.73
Rot. Bonds2

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

5-(benzotriazol-1-ylmethyl)quinolin-8-ol (PubChem CID 155560213) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-(benzotriazol-1-ylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-(benzotriazol-1-ylmethyl)quinolin-8-ol
PubChem CID155560213
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name5-(benzotriazol-1-ylmethyl)quinolin-8-ol
SMILESOc1ccc(Cn2nnc3ccccc32)c2cccnc12
InChIInChI=1S/C16H12N4O/c21-15-8-7-11(12-4-3-9-17-16(12)15)10-20-14-6-2-1-5-13(14)18-19-20/h1-9,21H,10H2
InChIKeyORGIQKWUTQHCFB-UHFFFAOYSA-N
XLogP2.73
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzotriazol-1-ylmethyl)quinolin-8-ol?
The IUPAC name of 5-(benzotriazol-1-ylmethyl)quinolin-8-ol (CID 155560213) is 5-(benzotriazol-1-ylmethyl)quinolin-8-ol.
What is the SMILES notation for 5-(benzotriazol-1-ylmethyl)quinolin-8-ol?
The canonical SMILES for 5-(benzotriazol-1-ylmethyl)quinolin-8-ol is Oc1ccc(Cn2nnc3ccccc32)c2cccnc12.
What is the InChIKey of 5-(benzotriazol-1-ylmethyl)quinolin-8-ol?
The InChIKey is ORGIQKWUTQHCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c21-15-8-7-11(12-4-3-9-17-16(12)15)10-20-14-6-2-1-5-13(14)18-19-20/h1-9,21H,10H2.
What are the key properties of 5-(benzotriazol-1-ylmethyl)quinolin-8-ol?
5-(benzotriazol-1-ylmethyl)quinolin-8-ol has a molecular weight of 276.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzotriazol-1-ylmethyl)quinolin-8-ol is sourced from PubChem (CID 155560213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).