2-(5,7-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid

C12H13Cl2NO2 — CID 82626086

IUPAC2-(5,7-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
SMILESCN1CCC(CC(=O)O)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C12H13Cl2NO2/c1-15-3-2-7(4-11(16)17)12-9(14)5-8(13)6-10(12)15/h5-7H,2-4H2,1H3,(H,16,17)
InChIKeyXPAIIXWMZQWOSS-UHFFFAOYSA-N
MW274.15 g/mol
LogP3.39
Rot. Bonds2

About 2-(5,7-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid

2-(5,7-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid (PubChem CID 82626086) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 2-(5,7-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5,7-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
PubChem CID82626086
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name2-(5,7-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
SMILESCN1CCC(CC(=O)O)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C12H13Cl2NO2/c1-15-3-2-7(4-11(16)17)12-9(14)5-8(13)6-10(12)15/h5-7H,2-4H2,1H3,(H,16,17)
InChIKeyXPAIIXWMZQWOSS-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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid?
The IUPAC name of 2-(5,7-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid (CID 82626086) is 2-(5,7-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(5,7-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid?
The canonical SMILES for 2-(5,7-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid is CN1CCC(CC(=O)O)c2c(Cl)cc(Cl)cc21.
What is the InChIKey of 2-(5,7-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid?
The InChIKey is XPAIIXWMZQWOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c1-15-3-2-7(4-11(16)17)12-9(14)5-8(13)6-10(12)15/h5-7H,2-4H2,1H3,(H,16,17).
What are the key properties of 2-(5,7-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid?
2-(5,7-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-(5,7-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid is sourced from PubChem (CID 82626086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).