8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride

C11H9ClFNO2 — CID 119031045

IUPAC8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride
SMILESCc1nc2c(F)cccc2cc1C(=O)O.Cl
InChIInChI=1S/C11H8FNO2.ClH/c1-6-8(11(14)15)5-7-3-2-4-9(12)10(7)13-6;/h2-5H,1H3,(H,14,15);1H
InChIKeyVBBQRLHXGQJTHR-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.80
Rot. Bonds1

About 8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride

8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride (PubChem CID 119031045) has the molecular formula C11H9ClFNO2 and a molecular weight of 241.65 g/mol. Its IUPAC name is 8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride
PubChem CID119031045
Molecular FormulaC11H9ClFNO2
Molecular Weight241.65 g/mol
Exact Mass241.03
IUPAC Name8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride
SMILESCc1nc2c(F)cccc2cc1C(=O)O.Cl
InChIInChI=1S/C11H8FNO2.ClH/c1-6-8(11(14)15)5-7-3-2-4-9(12)10(7)13-6;/h2-5H,1H3,(H,14,15);1H
InChIKeyVBBQRLHXGQJTHR-UHFFFAOYSA-N
XLogP2.80
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 8-fluoro-2-methylquinoline-3-carboxylate
CID 86767447
N-(1-cyclobutylpiperidin-4-yl)-8-fluoro-2-methylquinoline-3-carboxamide
CID 167948096
3-(8-carboxy-2-methylquinolin-3-yl)oxy-2-methylquinoline-8-carboxylic acid
CID 159563478
methyl 2-amino-8-fluoroquinoline-3-carboxylate
CID 135392236
6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid
CID 159654807
ethyl 8-fluoro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224649
8-fluoroquinoline-3-carboxylic acid;hydrate
CID 90668422
8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol
CID 159119849
2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid
CID 2749573
2-(aminomethyl)-8-fluoroquinoline-4-carboxylic acid
CID 84623455
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride (CID 119031045) is 8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride is Cc1nc2c(F)cccc2cc1C(=O)O.Cl.
What is the InChIKey of 8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride?
The InChIKey is VBBQRLHXGQJTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2.ClH/c1-6-8(11(14)15)5-7-3-2-4-9(12)10(7)13-6;/h2-5H,1H3,(H,14,15);1H.
What are the key properties of 8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride?
8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride has a molecular weight of 241.65 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 119031045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).