8-chloro-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid

C11H12ClNO2 — CID 84624968

IUPAC8-chloro-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
SMILESCN1c2c(Cl)cccc2CCC1C(=O)O
InChIInChI=1S/C11H12ClNO2/c1-13-9(11(14)15)6-5-7-3-2-4-8(12)10(7)13/h2-4,9H,5-6H2,1H3,(H,14,15)
InChIKeyOVROGPUBIAIUQB-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.18
Rot. Bonds1

About 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid

8-chloro-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid (PubChem CID 84624968) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-chloro-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
PubChem CID84624968
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name8-chloro-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
SMILESCN1c2c(Cl)cccc2CCC1C(=O)O
InChIInChI=1S/C11H12ClNO2/c1-13-9(11(14)15)6-5-7-3-2-4-8(12)10(7)13/h2-4,9H,5-6H2,1H3,(H,14,15)
InChIKeyOVROGPUBIAIUQB-UHFFFAOYSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid?
The IUPAC name of 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid (CID 84624968) is 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid.
What is the SMILES notation for 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid?
The canonical SMILES for 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid is CN1c2c(Cl)cccc2CCC1C(=O)O.
What is the InChIKey of 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid?
The InChIKey is OVROGPUBIAIUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-13-9(11(14)15)6-5-7-3-2-4-8(12)10(7)13/h2-4,9H,5-6H2,1H3,(H,14,15).
What are the key properties of 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid?
8-chloro-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid has a molecular weight of 225.68 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid is sourced from PubChem (CID 84624968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).