2-tert-butyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

C15H21NO2 — CID 116533824

IUPAC2-tert-butyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCC1CCc2nc(C(C)(C)C)c(C(=O)O)cc2C1
InChIInChI=1S/C15H21NO2/c1-9-5-6-12-10(7-9)8-11(14(17)18)13(16-12)15(2,3)4/h8-9H,5-7H2,1-4H3,(H,17,18)
InChIKeyIDZCBFQTKULJOQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.20
Rot. Bonds1

About 2-tert-butyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

2-tert-butyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 116533824) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-tert-butyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID116533824
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-tert-butyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCC1CCc2nc(C(C)(C)C)c(C(=O)O)cc2C1
InChIInChI=1S/C15H21NO2/c1-9-5-6-12-10(7-9)8-11(14(17)18)13(16-12)15(2,3)4/h8-9H,5-7H2,1-4H3,(H,17,18)
InChIKeyIDZCBFQTKULJOQ-UHFFFAOYSA-N
XLogP3.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 116533868
6-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine-5-carboxylic acid
CID 83822535
2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 112561977
4-tert-butyl-3-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-5-carboxylic acid
CID 116533884
7-tert-butyl-5,6,7,8-tetrahydroacridine-2-carboxylic acid
CID 155320047
(6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
CID 69152451
3-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)propanoic acid
CID 91811788
ethyl 2-tert-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate
CID 116533769
6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
CID 158244889
2,6,8-trimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 112562023
2-tert-butyl-6-ethyl-5-methylpyridine-3-carboxylic acid
CID 116533822
2-(2,4-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703023

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 2-tert-butyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 116533824) is 2-tert-butyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 2-tert-butyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is CC1CCc2nc(C(C)(C)C)c(C(=O)O)cc2C1.
What is the InChIKey of 2-tert-butyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is IDZCBFQTKULJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-9-5-6-12-10(7-9)8-11(14(17)18)13(16-12)15(2,3)4/h8-9H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 2-tert-butyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
2-tert-butyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 116533824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).