5-Imidazol-1-ylmethyl-quinolin-8-ol

C13H11N3O — CID 594190

IUPAC5-(imidazol-1-ylmethyl)quinolin-8-ol
SMILESC1=CC2=C(C=CC(=C2N=C1)O)CN3C=CN=C3
InChIInChI=1S/C13H11N3O/c17-12-4-3-10(8-16-7-6-14-9-16)11-2-1-5-15-13(11)12/h1-7,9,17H,8H2
InChIKeyFWRGZMWNWBBHLD-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.70
Rot. Bonds2

About 5-Imidazol-1-ylmethyl-quinolin-8-ol

5-Imidazol-1-ylmethyl-quinolin-8-ol (PubChem CID 594190) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-Imidazol-1-ylmethyl-quinolin-8-ol
PubChem CID594190
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name5-(imidazol-1-ylmethyl)quinolin-8-ol
SMILESC1=CC2=C(C=CC(=C2N=C1)O)CN3C=CN=C3
InChIInChI=1S/C13H11N3O/c17-12-4-3-10(8-16-7-6-14-9-16)11-2-1-5-15-13(11)12/h1-7,9,17H,8H2
InChIKeyFWRGZMWNWBBHLD-UHFFFAOYSA-N
XLogP1.70
TPSA50.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity261

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(N-methyl-N-propargylaminomethyl)-8-hydroxyquinoline
CID 6918822
5-(1-Piperidinylmethyl)-8-quinolinol
CID 279619
5-(Pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 776032
5-((Diethylamino)methyl)quinolin-8-ol
CID 5118730
5-[(4-Fluoranylimidazol-1-yl)methyl]quinolin-8-ol
CID 135121918
5-[(4-Benzylpiperazin-1-yl)methyl]quinolin-8-ol
CID 651866
5-[[(3-Methyl-2-pyridyl)amino]methyl]quinolin-8-ol
CID 654330
5-[(4-Phenylpiperazin-1-yl)methyl]quinolin-8-ol
CID 1090308
5-[(4-Methylpiperazin-1-yl)methyl]quinolin-8-ol
CID 3156674
5,5'-(2-(Pyrrolidin-1-yl)ethylazanediyl)bis(methylene)diquinolin-8-ol
CID 45112673
5-[(Dibenzylamino)methyl]quinolin-8-ol
CID 45112795
5-[(4-Pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol
CID 1090306

Frequently Asked Questions

What is the IUPAC name of 5-Imidazol-1-ylmethyl-quinolin-8-ol?
The IUPAC name of 5-Imidazol-1-ylmethyl-quinolin-8-ol (CID 594190) is 5-(imidazol-1-ylmethyl)quinolin-8-ol.
What is the SMILES notation for 5-Imidazol-1-ylmethyl-quinolin-8-ol?
The canonical SMILES for 5-Imidazol-1-ylmethyl-quinolin-8-ol is C1=CC2=C(C=CC(=C2N=C1)O)CN3C=CN=C3.
What is the InChIKey of 5-Imidazol-1-ylmethyl-quinolin-8-ol?
The InChIKey is FWRGZMWNWBBHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c17-12-4-3-10(8-16-7-6-14-9-16)11-2-1-5-15-13(11)12/h1-7,9,17H,8H2.
What are the key properties of 5-Imidazol-1-ylmethyl-quinolin-8-ol?
5-Imidazol-1-ylmethyl-quinolin-8-ol has a molecular weight of 225.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Imidazol-1-ylmethyl-quinolin-8-ol is sourced from PubChem (CID 594190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).