8-chloro-2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-4-ol

C17H23ClN2O+2 — CID 4096946

IUPAC8-chloro-2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-4-ol
SMILESCc1[nH+]c2c(Cl)cccc2c(O)c1C[NH+]1CCCCC1C
InChIInChI=1S/C17H21ClN2O/c1-11-6-3-4-9-20(11)10-14-12(2)19-16-13(17(14)21)7-5-8-15(16)18/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,19,21)/p+2
InChIKeyHHZMRPYWQIYNQQ-UHFFFAOYSA-P
MW306.84 g/mol
LogP2.28
Rot. Bonds2

About 8-chloro-2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-4-ol

8-chloro-2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-4-ol (PubChem CID 4096946) has the molecular formula C17H23ClN2O+2 and a molecular weight of 306.84 g/mol. Its IUPAC name is 8-chloro-2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-4-ol.

Molecular Properties

Compound Name8-chloro-2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-4-ol
PubChem CID4096946
Molecular FormulaC17H23ClN2O+2
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name8-chloro-2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-4-ol
SMILESCc1[nH+]c2c(Cl)cccc2c(O)c1C[NH+]1CCCCC1C
InChIInChI=1S/C17H21ClN2O/c1-11-6-3-4-9-20(11)10-14-12(2)19-16-13(17(14)21)7-5-8-15(16)18/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,19,21)/p+2
InChIKeyHHZMRPYWQIYNQQ-UHFFFAOYSA-P
XLogP2.28
TPSA38.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 8-chloro-2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-4-ol with MolForge

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Related Compounds

6-chloro-7-hydroxy-4-methyl-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one
CID 6929361
N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697995
(2R)-2-methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidin-1-ium
CID 7188343
2-N-(3-chloro-2-methylphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 6937023
7-hydroxy-3-(2-methoxyphenyl)-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one
CID 6964648
2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 2697959
5-chloro-7-[[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-ol
CID 6957537
(2R)-2-methyl-1-[(2-nitrophenyl)methyl]piperidin-1-ium
CID 7445631
3-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82981120
6-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate
CID 44665923
2-bromo-N-[(2,6-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637231
N-[4,5-dimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]-4-fluorobenzamide
CID 7345827

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-4-ol?
The IUPAC name of 8-chloro-2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-4-ol (CID 4096946) is 8-chloro-2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-4-ol.
What is the SMILES notation for 8-chloro-2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-4-ol?
The canonical SMILES for 8-chloro-2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-4-ol is Cc1[nH+]c2c(Cl)cccc2c(O)c1C[NH+]1CCCCC1C.
What is the InChIKey of 8-chloro-2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-4-ol?
The InChIKey is HHZMRPYWQIYNQQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C17H21ClN2O/c1-11-6-3-4-9-20(11)10-14-12(2)19-16-13(17(14)21)7-5-8-15(16)18/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,19,21)/p+2.
What are the key properties of 8-chloro-2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-4-ol?
8-chloro-2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-4-ol has a molecular weight of 306.84 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-4-ol is sourced from PubChem (CID 4096946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).