5-chloro-7-[[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-ol

C16H20ClN2O2+ — CID 6957537

IUPAC5-chloro-7-[[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-ol
SMILESOC[C@H]1CCCC[NH+]1Cc1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C16H19ClN2O2/c17-14-8-11(9-19-7-2-1-4-12(19)10-20)16(21)15-13(14)5-3-6-18-15/h3,5-6,8,12,20-21H,1-2,4,7,9-10H2/p+1/t12-/m1/s1
InChIKeyIHWVLTMHSJFRLI-GFCCVEGCSA-O
MW307.80 g/mol
LogP1.52
Rot. Bonds3

About 5-chloro-7-[[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-ol

5-chloro-7-[[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-ol (PubChem CID 6957537) has the molecular formula C16H20ClN2O2+ and a molecular weight of 307.80 g/mol. Its IUPAC name is 5-chloro-7-[[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-[[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-ol
PubChem CID6957537
Molecular FormulaC16H20ClN2O2+
Molecular Weight307.80 g/mol
Exact Mass307.12
IUPAC Name5-chloro-7-[[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-ol
SMILESOC[C@H]1CCCC[NH+]1Cc1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C16H19ClN2O2/c17-14-8-11(9-19-7-2-1-4-12(19)10-20)16(21)15-13(14)5-3-6-18-15/h3,5-6,8,12,20-21H,1-2,4,7,9-10H2/p+1/t12-/m1/s1
InChIKeyIHWVLTMHSJFRLI-GFCCVEGCSA-O
XLogP1.52
TPSA57.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-7-[[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-ol with MolForge

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Related Compounds

5-chloro-7-(chloromethyl)quinolin-8-ol
CID 4702114
5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 716609
5-bromo-7-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol
CID 4148781
5,7-dichloroquinolin-8-ol;nickel
CID 175096460
7-[[4-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2,5-dimethylpiperazin-1-yl]methyl]-5-methylquinolin-8-ol
CID 157165811
zinc 5-chloro-7-(18F)fluoroquinolin-8-ol
CID 10378005
N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 91667484
5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride
CID 131888000
bis(5-chloro-7-iodoquinolin-8-ol);indium-111(3+)
CID 25009411
bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)
CID 25009413
[2-(5-chloroquinolin-8-yl)oxan-3-yl]methanol
CID 112618787
5-chloro-7-[[(2-fluorophenyl)methylamino]methyl]quinolin-8-ol;hydrochloride
CID 138620659

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-ol?
The IUPAC name of 5-chloro-7-[[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-ol (CID 6957537) is 5-chloro-7-[[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-[[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-ol?
The canonical SMILES for 5-chloro-7-[[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-ol is OC[C@H]1CCCC[NH+]1Cc1cc(Cl)c2cccnc2c1O.
What is the InChIKey of 5-chloro-7-[[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-ol?
The InChIKey is IHWVLTMHSJFRLI-GFCCVEGCSA-O. The full InChI is InChI=1S/C16H19ClN2O2/c17-14-8-11(9-19-7-2-1-4-12(19)10-20)16(21)15-13(14)5-3-6-18-15/h3,5-6,8,12,20-21H,1-2,4,7,9-10H2/p+1/t12-/m1/s1.
What are the key properties of 5-chloro-7-[[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-ol?
5-chloro-7-[[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-ol has a molecular weight of 307.80 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-ol is sourced from PubChem (CID 6957537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).