5-(methoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol

C17H22N2O2 — CID 598979

IUPAC5-(methoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol
SMILESCOCc1cc(CN2CCCCC2)c(O)c2ncccc12
InChIInChI=1S/C17H22N2O2/c1-21-12-14-10-13(11-19-8-3-2-4-9-19)17(20)16-15(14)6-5-7-18-16/h5-7,10,20H,2-4,8-9,11-12H2,1H3
InChIKeyOKCHMQBXKMRHST-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.07
Rot. Bonds4

About 5-(methoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol

5-(methoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol (PubChem CID 598979) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-(methoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-(methoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol
PubChem CID598979
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name5-(methoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol
SMILESCOCc1cc(CN2CCCCC2)c(O)c2ncccc12
InChIInChI=1S/C17H22N2O2/c1-21-12-14-10-13(11-19-8-3-2-4-9-19)17(20)16-15(14)6-5-7-18-16/h5-7,10,20H,2-4,8-9,11-12H2,1H3
InChIKeyOKCHMQBXKMRHST-UHFFFAOYSA-N
XLogP3.07
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-8-hydroxyquinoline
CID 71208
5-(N-methyl-N-propargylaminomethyl)-8-hydroxyquinoline
CID 6918822
5-(4-Morpholinylmethyl)-8-quinolinol
CID 1090303
5-(1-Piperidinylmethyl)-8-quinolinol
CID 279619
5-(Hydroxymethyl)quinolin-8-ol
CID 675786
7-(Piperidin-1-ylmethyl)quinolin-8-ol
CID 245742
5-(Isobutoxymethyl)-8-quinolinol
CID 761896
Hla-20
CID 6918819
8-Quinolinol, 7-(4-ethyl-1-methyloctyl)-
CID 166430
5,7-Dimethyl-8-quinolinol
CID 762732
7-[(4-Ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 3384730
Unii-8KG95Q2dqh
CID 25268906

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol?
The IUPAC name of 5-(methoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol (CID 598979) is 5-(methoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol.
What is the SMILES notation for 5-(methoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol?
The canonical SMILES for 5-(methoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol is COCc1cc(CN2CCCCC2)c(O)c2ncccc12.
What is the InChIKey of 5-(methoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol?
The InChIKey is OKCHMQBXKMRHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-21-12-14-10-13(11-19-8-3-2-4-9-19)17(20)16-15(14)6-5-7-18-16/h5-7,10,20H,2-4,8-9,11-12H2,1H3.
What are the key properties of 5-(methoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol?
5-(methoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol has a molecular weight of 286.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol is sourced from PubChem (CID 598979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).