2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid

C12H9Cl2NO2 — CID 82449379

IUPAC2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid
SMILESCc1cc(CC(=O)O)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C12H9Cl2NO2/c1-6-2-7(3-11(16)17)9-4-8(13)5-10(14)12(9)15-6/h2,4-5H,3H2,1H3,(H,16,17)
InChIKeyOEEIRWPUIXUXFE-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.48
Rot. Bonds2

About 2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid

2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid (PubChem CID 82449379) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is 2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid
PubChem CID82449379
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC Name2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid
SMILESCc1cc(CC(=O)O)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C12H9Cl2NO2/c1-6-2-7(3-11(16)17)9-4-8(13)5-10(14)12(9)15-6/h2,4-5H,3H2,1H3,(H,16,17)
InChIKeyOEEIRWPUIXUXFE-UHFFFAOYSA-N
XLogP3.48
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 6,8-dichloro-2-methylquinoline-4-carboxylate
CID 82574672
2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid
CID 82574993
N-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine
CID 82449372
2-(2,8-dimethylquinolin-4-yl)acetic acid
CID 82447836
2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol
CID 82449382
2-(6-chloro-2,8-dimethylquinolin-4-yl)ethanamine
CID 82575608
2-(8-chloro-2-methylquinolin-4-yl)acetamide
CID 82575392
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
6,8-dichloro-2-methylquinoline-4-carbonitrile
CID 82449362
6,8-dichloro-2-ethyl-3-methylquinoline-4-carboxylic acid
CID 60984819
6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid
CID 154201700
6-chloro-2,4-dimethylquinoline-8-carboxylic acid
CID 82574745

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid?
The IUPAC name of 2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid (CID 82449379) is 2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid?
The canonical SMILES for 2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid is Cc1cc(CC(=O)O)c2cc(Cl)cc(Cl)c2n1.
What is the InChIKey of 2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid?
The InChIKey is OEEIRWPUIXUXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c1-6-2-7(3-11(16)17)9-4-8(13)5-10(14)12(9)15-6/h2,4-5H,3H2,1H3,(H,16,17).
What are the key properties of 2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid?
2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid has a molecular weight of 270.12 g/mol, XLogP of 3.48, 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-2-methylquinolin-4-yl)acetic acid is sourced from PubChem (CID 82449379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).