5-(octoxymethyl)quinolin-8-ol;hydrochloride

C18H26ClNO2 — CID 46946912

IUPAC5-(octoxymethyl)quinolin-8-ol;hydrochloride
SMILESCCCCCCCCOCc1ccc(O)c2ncccc12.Cl
InChIInChI=1S/C18H25NO2.ClH/c1-2-3-4-5-6-7-13-21-14-15-10-11-17(20)18-16(15)9-8-12-19-18;/h8-12,20H,2-7,13-14H2,1H3;1H
InChIKeyMNZCRLRMHPLIQV-UHFFFAOYSA-N
MW323.86 g/mol
LogP5.24
Rot. Bonds9

About 5-(octoxymethyl)quinolin-8-ol;hydrochloride

5-(octoxymethyl)quinolin-8-ol;hydrochloride (PubChem CID 46946912) has the molecular formula C18H26ClNO2 and a molecular weight of 323.86 g/mol. Its IUPAC name is 5-(octoxymethyl)quinolin-8-ol;hydrochloride.

Molecular Properties

Compound Name5-(octoxymethyl)quinolin-8-ol;hydrochloride
PubChem CID46946912
Molecular FormulaC18H26ClNO2
Molecular Weight323.86 g/mol
Exact Mass323.17
IUPAC Name5-(octoxymethyl)quinolin-8-ol;hydrochloride
SMILESCCCCCCCCOCc1ccc(O)c2ncccc12.Cl
InChIInChI=1S/C18H25NO2.ClH/c1-2-3-4-5-6-7-13-21-14-15-10-11-17(20)18-16(15)9-8-12-19-18;/h8-12,20H,2-7,13-14H2,1H3;1H
InChIKeyMNZCRLRMHPLIQV-UHFFFAOYSA-N
XLogP5.24
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.86
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-undecylquinolin-8-ol
CID 10780517
5-(hexoxymethyl)-2-methylquinolin-8-ol
CID 15817747
2-[(8-hydroxyquinolin-5-yl)methoxy]ethyl propanoate
CID 142164952
11,12-bis(decoxymethyl)quinoxalino[2,3-f][1,10]phenanthroline
CID 102391462
4-tridecylquinolin-8-ol
CID 102274119
1-(hexoxymethyl)naphthalene
CID 18427527
5-(methylsulfanylmethyl)quinolin-8-ol
CID 58730254
3-(pentoxymethyl)pyridine-2-carbothioamide
CID 62894304
2-(8-hydroxyquinolin-5-yl)ethyl acetate
CID 90678815
5-[(dimethylamino)methyl]quinolin-8-ol
CID 5118731
3-(hexoxymethyl)pyridine-2-carboximidamide
CID 62895257
3-(octacosoxymethyl)-1H-indole
CID 11512197

Frequently Asked Questions

What is the IUPAC name of 5-(octoxymethyl)quinolin-8-ol;hydrochloride?
The IUPAC name of 5-(octoxymethyl)quinolin-8-ol;hydrochloride (CID 46946912) is 5-(octoxymethyl)quinolin-8-ol;hydrochloride.
What is the SMILES notation for 5-(octoxymethyl)quinolin-8-ol;hydrochloride?
The canonical SMILES for 5-(octoxymethyl)quinolin-8-ol;hydrochloride is CCCCCCCCOCc1ccc(O)c2ncccc12.Cl.
What is the InChIKey of 5-(octoxymethyl)quinolin-8-ol;hydrochloride?
The InChIKey is MNZCRLRMHPLIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2.ClH/c1-2-3-4-5-6-7-13-21-14-15-10-11-17(20)18-16(15)9-8-12-19-18;/h8-12,20H,2-7,13-14H2,1H3;1H.
What are the key properties of 5-(octoxymethyl)quinolin-8-ol;hydrochloride?
5-(octoxymethyl)quinolin-8-ol;hydrochloride has a molecular weight of 323.86 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(octoxymethyl)quinolin-8-ol;hydrochloride is sourced from PubChem (CID 46946912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).