7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride

C11H9Cl2NO2 — CID 174825342

IUPAC7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride
SMILESCc1cnc2c(C(=O)O)c(Cl)ccc2c1.Cl
InChIInChI=1S/C11H8ClNO2.ClH/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6;/h2-5H,1H3,(H,14,15);1H
InChIKeyYJPUYASNQZVSGD-UHFFFAOYSA-N
MW258.10 g/mol
LogP3.32
Rot. Bonds1

About 7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride

7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride (PubChem CID 174825342) has the molecular formula C11H9Cl2NO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is 7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride
PubChem CID174825342
Molecular FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
Exact Mass257.00
IUPAC Name7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride
SMILESCc1cnc2c(C(=O)O)c(Cl)ccc2c1.Cl
InChIInChI=1S/C11H8ClNO2.ClH/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6;/h2-5H,1H3,(H,14,15);1H
InChIKeyYJPUYASNQZVSGD-UHFFFAOYSA-N
XLogP3.32
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-3-methylquinolin-8-yl)ethanone;ethane
CID 145100287
3,7-dichloroquinoline-8-carboxylic acid;hydrochloride
CID 70394889
methyl 7-chloro-3-methylquinoline-8-carboxylate
CID 21278643
5-amino-4-chloro-2-phenylpyridazin-3-one;7-chloro-3-methylquinoline-8-carboxylic acid
CID 56841702
(7-chloro-3-methylquinolin-8-yl) hydrogen carbonate
CID 66867776
3,8-dimethyl-1,10-phenanthroline
CID 159392628
4-amino-3,5,6-trichloropyridine-2-carboxylic acid;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid;7-chloro-3-methylquinoline-8-carboxylic acid
CID 137481736
7-chloro-3-methylquinoline-8-carboxylic acid;5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylic acid
CID 137481730
3,7-dichloroquinoline-8-carbonyl chloride
CID 13090840
7-chloro-3-methylquinoline-8-carboxylic acid;3,6-dichloro-2-methoxybenzoic acid;5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylic acid
CID 137481748
4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride
CID 155943900
8-chloro-3,6-dimethylquinoline;ethane
CID 169233999

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride?
The IUPAC name of 7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride (CID 174825342) is 7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride.
What is the SMILES notation for 7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride?
The canonical SMILES for 7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride is Cc1cnc2c(C(=O)O)c(Cl)ccc2c1.Cl.
What is the InChIKey of 7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride?
The InChIKey is YJPUYASNQZVSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2.ClH/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6;/h2-5H,1H3,(H,14,15);1H.
What are the key properties of 7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride?
7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride has a molecular weight of 258.10 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride is sourced from PubChem (CID 174825342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).