2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)acetic acid

C12H13Cl2NO2 — CID 82626084

IUPAC2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)acetic acid
SMILESCN1CC(CC(=O)O)Cc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C12H13Cl2NO2/c1-15-6-7(3-11(16)17)2-8-4-9(13)5-10(14)12(8)15/h4-5,7H,2-3,6H2,1H3,(H,16,17)
InChIKeyNSBSGTMMUXCFQT-UHFFFAOYSA-N
MW274.15 g/mol
LogP3.08
Rot. Bonds2

About 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)acetic acid

2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)acetic acid (PubChem CID 82626084) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)acetic acid
PubChem CID82626084
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)acetic acid
SMILESCN1CC(CC(=O)O)Cc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C12H13Cl2NO2/c1-15-6-7(3-11(16)17)2-8-4-9(13)5-10(14)12(8)15/h4-5,7H,2-3,6H2,1H3,(H,16,17)
InChIKeyNSBSGTMMUXCFQT-UHFFFAOYSA-N
XLogP3.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)acetic acid with MolForge

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Related Compounds

6,8-Dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CID 2865731
2-(8-Chloro-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid
CID 44285347
2-(8-Chloro-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid
CID 44285324
2-[8-chloro-1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid
CID 18959614
6,8-Dichloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 22638956
(2S,3R)-6,8-dichloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 69768411
2-(8-Chloro-2,3,4-trifluoro-1,2-dimethyl-3,4-dihydroquinolin-6-yl)acetic acid
CID 88150221
8-Chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 83672534
(3aR,4S,9bS)-6,8-dichloro-5-(2,2,2-trifluoroacetyl)-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline-4-carboxylic acid
CID 165763627
rac-(3aR,4S,9bS)-6,8-dichloro-5-(2,2,2-trifluoroacetyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-4-carboxylic acid
CID 178202945
2-(5-Chloro-2-piperidin-1-ylphenyl)propanoic acid
CID 10849458
2-(8-Chloro-1,2,3,4-tetrahydroquinolin-6-yl)propanoic acid
CID 13206071

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)acetic acid?
The IUPAC name of 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)acetic acid (CID 82626084) is 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)acetic acid?
The canonical SMILES for 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)acetic acid is CN1CC(CC(=O)O)Cc2cc(Cl)cc(Cl)c21.
What is the InChIKey of 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)acetic acid?
The InChIKey is NSBSGTMMUXCFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c1-15-6-7(3-11(16)17)2-8-4-9(13)5-10(14)12(8)15/h4-5,7H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)acetic acid?
2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)acetic acid has a molecular weight of 274.15 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)acetic acid is sourced from PubChem (CID 82626084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).