2,6,8-trimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

C13H17NO2 — CID 112562023

IUPAC2,6,8-trimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCc1nc2c(cc1C(=O)O)CC(C)CC2C
InChIInChI=1S/C13H17NO2/c1-7-4-8(2)12-10(5-7)6-11(13(15)16)9(3)14-12/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyPEFIZEGGBGIUJB-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.77
Rot. Bonds1

About 2,6,8-trimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

2,6,8-trimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 112562023) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2,6,8-trimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2,6,8-trimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID112562023
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2,6,8-trimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCc1nc2c(cc1C(=O)O)CC(C)CC2C
InChIInChI=1S/C13H17NO2/c1-7-4-8(2)12-10(5-7)6-11(13(15)16)9(3)14-12/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyPEFIZEGGBGIUJB-UHFFFAOYSA-N
XLogP2.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6,8-trimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 2,6,8-trimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 112562023) is 2,6,8-trimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 2,6,8-trimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 2,6,8-trimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is Cc1nc2c(cc1C(=O)O)CC(C)CC2C.
What is the InChIKey of 2,6,8-trimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is PEFIZEGGBGIUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-7-4-8(2)12-10(5-7)6-11(13(15)16)9(3)14-12/h6-8H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2,6,8-trimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
2,6,8-trimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-trimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 112562023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).