1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

C11H13NO2 — CID 60840127

IUPAC1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCN1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C11H13NO2/c1-12-7-3-5-8-9(11(13)14)4-2-6-10(8)12/h2,4,6H,3,5,7H2,1H3,(H,13,14)
InChIKeyYVGNRHRSKQPYIY-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.77
Rot. Bonds1

About 1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 60840127) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID60840127
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCN1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C11H13NO2/c1-12-7-3-5-8-9(11(13)14)4-2-6-10(8)12/h2,4,6H,3,5,7H2,1H3,(H,13,14)
InChIKeyYVGNRHRSKQPYIY-UHFFFAOYSA-N
XLogP1.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 60840127) is 1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid is CN1CCCc2c(C(=O)O)cccc21.
What is the InChIKey of 1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is YVGNRHRSKQPYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12-7-3-5-8-9(11(13)14)4-2-6-10(8)12/h2,4,6H,3,5,7H2,1H3,(H,13,14).
What are the key properties of 1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 60840127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).