2,6-dimethyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

C12H15NO2 — CID 74349133

IUPAC2,6-dimethyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
SMILESCc1ccc2c(c1)C(C(=O)O)CC(C)N2
InChIInChI=1S/C12H15NO2/c1-7-3-4-11-9(5-7)10(12(14)15)6-8(2)13-11/h3-5,8,10,13H,6H2,1-2H3,(H,14,15)
InChIKeyHKCZWWIPQMWZNB-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.37
Rot. Bonds1

About 2,6-dimethyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

2,6-dimethyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid (PubChem CID 74349133) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2,6-dimethyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
PubChem CID74349133
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2,6-dimethyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
SMILESCc1ccc2c(c1)C(C(=O)O)CC(C)N2
InChIInChI=1S/C12H15NO2/c1-7-3-4-11-9(5-7)10(12(14)15)6-8(2)13-11/h3-5,8,10,13H,6H2,1-2H3,(H,14,15)
InChIKeyHKCZWWIPQMWZNB-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The IUPAC name of 2,6-dimethyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid (CID 74349133) is 2,6-dimethyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid is Cc1ccc2c(c1)C(C(=O)O)CC(C)N2.
What is the InChIKey of 2,6-dimethyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The InChIKey is HKCZWWIPQMWZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7-3-4-11-9(5-7)10(12(14)15)6-8(2)13-11/h3-5,8,10,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 2,6-dimethyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
2,6-dimethyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid is sourced from PubChem (CID 74349133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).