6-chloro-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-8-carboxylic acid;hydrochloride

C11H12Cl2FNO2 — CID 171787810

IUPAC6-chloro-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-8-carboxylic acid;hydrochloride
SMILESCN1CCCc2cc(Cl)c(F)c(C(=O)O)c21.Cl
InChIInChI=1S/C11H11ClFNO2.ClH/c1-14-4-2-3-6-5-7(12)9(13)8(10(6)14)11(15)16;/h5H,2-4H2,1H3,(H,15,16);1H
InChIKeyXSOTVXSYILWCQK-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.98
Rot. Bonds1

About 6-chloro-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-8-carboxylic acid;hydrochloride

6-chloro-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-8-carboxylic acid;hydrochloride (PubChem CID 171787810) has the molecular formula C11H12Cl2FNO2 and a molecular weight of 280.13 g/mol. Its IUPAC name is 6-chloro-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-8-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-chloro-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-8-carboxylic acid;hydrochloride
PubChem CID171787810
Molecular FormulaC11H12Cl2FNO2
Molecular Weight280.13 g/mol
Exact Mass279.02
IUPAC Name6-chloro-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-8-carboxylic acid;hydrochloride
SMILESCN1CCCc2cc(Cl)c(F)c(C(=O)O)c21.Cl
InChIInChI=1S/C11H11ClFNO2.ClH/c1-14-4-2-3-6-5-7(12)9(13)8(10(6)14)11(15)16;/h5H,2-4H2,1H3,(H,15,16);1H
InChIKeyXSOTVXSYILWCQK-UHFFFAOYSA-N
XLogP2.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-6-fluoro-1,4-dimethyl-2,3-dihydroquinoxaline-5-carboxylic acid
CID 171788045
6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline
CID 58331978
(6-chloro-7-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)methanol
CID 177336713
7-chloro-8-ethenyl-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 177159993
8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82408940
2,4-dichloro-3,6-difluorobenzoic acid
CID 142663367
6-chloro-2,3-dihydro-1H-indene-5-carboxylic acid
CID 125449044
2,3,5-trichloro-6-fluorobenzoic acid
CID 142663386
1-(7-chloro-1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 83884756
acetic acid;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ol
CID 21117308
11-chloro-1-methyl-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepine
CID 58494621
2-fluoro-3-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 171787705

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-8-carboxylic acid;hydrochloride?
The IUPAC name of 6-chloro-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-8-carboxylic acid;hydrochloride (CID 171787810) is 6-chloro-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-8-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-chloro-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-8-carboxylic acid;hydrochloride?
The canonical SMILES for 6-chloro-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-8-carboxylic acid;hydrochloride is CN1CCCc2cc(Cl)c(F)c(C(=O)O)c21.Cl.
What is the InChIKey of 6-chloro-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-8-carboxylic acid;hydrochloride?
The InChIKey is XSOTVXSYILWCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO2.ClH/c1-14-4-2-3-6-5-7(12)9(13)8(10(6)14)11(15)16;/h5H,2-4H2,1H3,(H,15,16);1H.
What are the key properties of 6-chloro-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-8-carboxylic acid;hydrochloride?
6-chloro-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-8-carboxylic acid;hydrochloride has a molecular weight of 280.13 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-8-carboxylic acid;hydrochloride is sourced from PubChem (CID 171787810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).