2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid

C12H13Cl2NO2 — CID 82626089

IUPAC2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
SMILESCN1CCC(CC(=O)O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C12H13Cl2NO2/c1-15-5-4-7(6-10(16)17)11-8(13)2-3-9(14)12(11)15/h2-3,7H,4-6H2,1H3,(H,16,17)
InChIKeyYYOSZUKNNGFBCP-UHFFFAOYSA-N
MW274.15 g/mol
LogP3.39
Rot. Bonds2

About 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid

2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid (PubChem CID 82626089) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
PubChem CID82626089
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
SMILESCN1CCC(CC(=O)O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C12H13Cl2NO2/c1-15-5-4-7(6-10(16)17)11-8(13)2-3-9(14)12(11)15/h2-3,7H,4-6H2,1H3,(H,16,17)
InChIKeyYYOSZUKNNGFBCP-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanamine
CID 82623732
2-(5,7-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 82626086
2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 83838175
2-(1-acetyl-5,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 82623979
2-(1-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-h]quinolin-10-yl)acetic acid
CID 82623990
2-(1-methyl-3,4,8,9,10,11-hexahydro-2H-oxepino[2,3-h]quinolin-11-yl)acetic acid
CID 82626268
2-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid
CID 84635031
2-(4-methyl-2,3,8,9,10,11-hexahydro-1H-oxepino[3,2-f]quinolin-11-yl)acetic acid
CID 82626267
2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 82625253
2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 123427549
2-(2-methyl-1,5-dioxo-3,4-dihydro-2-benzazepin-4-yl)acetic acid
CID 139822099
4-amino-5,8-dichloro-1-methyl-2,3-dihydroquinoline-4-carboxylic acid
CID 82626197

Frequently Asked Questions

What is the IUPAC name of 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid?
The IUPAC name of 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid (CID 82626089) is 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid?
The canonical SMILES for 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid is CN1CCC(CC(=O)O)c2c(Cl)ccc(Cl)c21.
What is the InChIKey of 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid?
The InChIKey is YYOSZUKNNGFBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c1-15-5-4-7(6-10(16)17)11-8(13)2-3-9(14)12(11)15/h2-3,7H,4-6H2,1H3,(H,16,17).
What are the key properties of 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid?
2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid has a molecular weight of 274.15 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid is sourced from PubChem (CID 82626089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).