6,8-dimethyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

C12H15NO2 — CID 82396307

IUPAC6,8-dimethyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESCc1cc(C)c2c(c1)CCC(C(=O)O)N2
InChIInChI=1S/C12H15NO2/c1-7-5-8(2)11-9(6-7)3-4-10(13-11)12(14)15/h5-6,10,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyMHICMYCXOXKIOE-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.11
Rot. Bonds1

About 6,8-dimethyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

6,8-dimethyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 82396307) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 6,8-dimethyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6,8-dimethyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
PubChem CID82396307
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name6,8-dimethyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESCc1cc(C)c2c(c1)CCC(C(=O)O)N2
InChIInChI=1S/C12H15NO2/c1-7-5-8(2)11-9(6-7)3-4-10(13-11)12(14)15/h5-6,10,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyMHICMYCXOXKIOE-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The IUPAC name of 6,8-dimethyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 82396307) is 6,8-dimethyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
What is the SMILES notation for 6,8-dimethyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The canonical SMILES for 6,8-dimethyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is Cc1cc(C)c2c(c1)CCC(C(=O)O)N2.
What is the InChIKey of 6,8-dimethyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The InChIKey is MHICMYCXOXKIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7-5-8(2)11-9(6-7)3-4-10(13-11)12(14)15/h5-6,10,13H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 6,8-dimethyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
6,8-dimethyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 82396307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).