2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid

C11H13NO2 — CID 82184060

IUPAC2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(n1)CCCC2
InChIInChI=1S/C11H13NO2/c1-7-6-9(11(13)14)8-4-2-3-5-10(8)12-7/h6H,2-5H2,1H3,(H,13,14)
InChIKeyZAIVPZAFRHWQNX-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.97
Rot. Bonds1

About 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid

2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid (PubChem CID 82184060) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid
PubChem CID82184060
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(n1)CCCC2
InChIInChI=1S/C11H13NO2/c1-7-6-9(11(13)14)8-4-2-3-5-10(8)12-7/h6H,2-5H2,1H3,(H,13,14)
InChIKeyZAIVPZAFRHWQNX-UHFFFAOYSA-N
XLogP1.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid (CID 82184060) is 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid is Cc1cc(C(=O)O)c2c(n1)CCCC2.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid?
The InChIKey is ZAIVPZAFRHWQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-6-9(11(13)14)8-4-2-3-5-10(8)12-7/h6H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid?
2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid is sourced from PubChem (CID 82184060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).