2-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]quinolin-8-ol

C19H17N5O2 — CID 56705451

IUPAC2-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]quinolin-8-ol
SMILESCN(Cc1ccc2cccc(O)c2n1)Cc1nc(-c2ccncc2)no1
InChIInChI=1S/C19H17N5O2/c1-24(11-15-6-5-13-3-2-4-16(25)18(13)21-15)12-17-22-19(23-26-17)14-7-9-20-10-8-14/h2-10,25H,11-12H2,1H3
InChIKeyPXRTWOFYHKSNRZ-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.02
Rot. Bonds5

About 2-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]quinolin-8-ol

2-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]quinolin-8-ol (PubChem CID 56705451) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]quinolin-8-ol
PubChem CID56705451
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]quinolin-8-ol
SMILESCN(Cc1ccc2cccc(O)c2n1)Cc1nc(-c2ccncc2)no1
InChIInChI=1S/C19H17N5O2/c1-24(11-15-6-5-13-3-2-4-16(25)18(13)21-15)12-17-22-19(23-26-17)14-7-9-20-10-8-14/h2-10,25H,11-12H2,1H3
InChIKeyPXRTWOFYHKSNRZ-UHFFFAOYSA-N
XLogP3.02
TPSA88.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]quinolin-8-ol with MolForge

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Related Compounds

7-[5-[(4-Fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,6-naphthyridin-8-ol
CID 135496164
7-(5-Benzyl-1,2,4-oxadiazol-3-yl)-1,6-naphthyridin-8-ol
CID 135519339
1-[3-(3-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylmethanamine
CID 16188708
4-[3-(5-Ethyl-1,2,4-oxadiazol-3-yl)quinolin-6-yl]phenol
CID 168298556
4-[3-(5-Methyl-1,2,4-oxadiazol-3-yl)quinolin-6-yl]phenol
CID 168299161
7-(5-Phenyl-1,2,4-oxadiazol-3-yl)-1,6-naphthyridin-8-ol
CID 135869504
N-(4-((1H-Imidazol-1-yl)methyl)-8-hydroxyquinolin-2-yl)acetamide
CID 137319631
2-(1H-Imidazol-1-yl)quinolin-8-ol
CID 57939349
1-[7-[5-[(4-Fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-8-hydroxy-1,6-naphthyridin-5-yl]pyrrolidin-2-one
CID 135495153
1-(8-methoxy-5-quinolinyl)-N-methyl-N-{[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl}methanamine
CID 25297441
2-{[[(5-Cyclobutyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amino]methyl}quinolin-8-ol
CID 56705838
5-[1-(8-Methoxy-2-quinolyl)-4-piperidyl]-3-(3-pyridyl)-1,2,4-oxadiazole
CID 166456445

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]quinolin-8-ol?
The IUPAC name of 2-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]quinolin-8-ol (CID 56705451) is 2-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]quinolin-8-ol.
What is the SMILES notation for 2-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]quinolin-8-ol?
The canonical SMILES for 2-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]quinolin-8-ol is CN(Cc1ccc2cccc(O)c2n1)Cc1nc(-c2ccncc2)no1.
What is the InChIKey of 2-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]quinolin-8-ol?
The InChIKey is PXRTWOFYHKSNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-24(11-15-6-5-13-3-2-4-16(25)18(13)21-15)12-17-22-19(23-26-17)14-7-9-20-10-8-14/h2-10,25H,11-12H2,1H3.
What are the key properties of 2-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]quinolin-8-ol?
2-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]quinolin-8-ol has a molecular weight of 347.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]quinolin-8-ol is sourced from PubChem (CID 56705451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).