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

C11H13NO2 — CID 82276220

IUPAC8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
SMILESCc1cccc2c1NCCC2C(=O)O
InChIInChI=1S/C11H13NO2/c1-7-3-2-4-8-9(11(13)14)5-6-12-10(7)8/h2-4,9,12H,5-6H2,1H3,(H,13,14)
InChIKeyHSPNNHDKBJINIT-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.98
Rot. Bonds1

About 8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid (PubChem CID 82276220) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
PubChem CID82276220
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
SMILESCc1cccc2c1NCCC2C(=O)O
InChIInChI=1S/C11H13NO2/c1-7-3-2-4-8-9(11(13)14)5-6-12-10(7)8/h2-4,9,12H,5-6H2,1H3,(H,13,14)
InChIKeyHSPNNHDKBJINIT-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The IUPAC name of 8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid (CID 82276220) is 8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid.
What is the SMILES notation for 8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The canonical SMILES for 8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid is Cc1cccc2c1NCCC2C(=O)O.
What is the InChIKey of 8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The InChIKey is HSPNNHDKBJINIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-3-2-4-8-9(11(13)14)5-6-12-10(7)8/h2-4,9,12H,5-6H2,1H3,(H,13,14).
What are the key properties of 8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid is sourced from PubChem (CID 82276220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).