2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid

C11H13NO2 — CID 86099294

IUPAC2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid
SMILESCC1CCc2ccc(C(=O)O)cc2N1
InChIInChI=1S/C11H13NO2/c1-7-2-3-8-4-5-9(11(13)14)6-10(8)12-7/h4-7,12H,2-3H2,1H3,(H,13,14)
InChIKeyMZVQMZVNFVFARQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.13
Rot. Bonds1

About 2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid

2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid (PubChem CID 86099294) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid
PubChem CID86099294
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid
SMILESCC1CCc2ccc(C(=O)O)cc2N1
InChIInChI=1S/C11H13NO2/c1-7-2-3-8-4-5-9(11(13)14)6-10(8)12-7/h4-7,12H,2-3H2,1H3,(H,13,14)
InChIKeyMZVQMZVNFVFARQ-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid?
The IUPAC name of 2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid (CID 86099294) is 2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid.
What is the SMILES notation for 2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid?
The canonical SMILES for 2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid is CC1CCc2ccc(C(=O)O)cc2N1.
What is the InChIKey of 2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid?
The InChIKey is MZVQMZVNFVFARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-2-3-8-4-5-9(11(13)14)6-10(8)12-7/h4-7,12H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid?
2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid is sourced from PubChem (CID 86099294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).