2-(6-tert-butylquinolin-8-yl)-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid

C25H21N3O4 — CID 102337186

IUPAC2-(6-tert-butylquinolin-8-yl)-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid
SMILESCC(C)(C)c1cc(-c2cc(C(=O)O)cc(-c3cc(C(=O)O)ccn3)n2)c2ncccc2c1
InChIInChI=1S/C25H21N3O4/c1-25(2,3)17-9-14-5-4-7-27-22(14)18(13-17)19-11-16(24(31)32)12-21(28-19)20-10-15(23(29)30)6-8-26-20/h4-13H,1-3H3,(H,29,30)(H,31,32)
InChIKeyJIXKXUGKUQYMRX-UHFFFAOYSA-N
MW427.46 g/mol
LogP5.05
Rot. Bonds4

About 2-(6-tert-butylquinolin-8-yl)-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid

2-(6-tert-butylquinolin-8-yl)-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid (PubChem CID 102337186) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-(6-tert-butylquinolin-8-yl)-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-tert-butylquinolin-8-yl)-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid
PubChem CID102337186
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Name2-(6-tert-butylquinolin-8-yl)-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid
SMILESCC(C)(C)c1cc(-c2cc(C(=O)O)cc(-c3cc(C(=O)O)ccn3)n2)c2ncccc2c1
InChIInChI=1S/C25H21N3O4/c1-25(2,3)17-9-14-5-4-7-27-22(14)18(13-17)19-11-16(24(31)32)12-21(28-19)20-10-15(23(29)30)6-8-26-20/h4-13H,1-3H3,(H,29,30)(H,31,32)
InChIKeyJIXKXUGKUQYMRX-UHFFFAOYSA-N
XLogP5.05
TPSA113.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.46
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(6-tert-butylquinolin-8-yl)-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid with MolForge

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Related Compounds

carbon dioxide;ethyl 2-(6-tert-butylquinolin-8-yl)-6-(4-ethyl-2-pyridinyl)pyridine-4-carboxylate
CID 162177241
2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine
CID 160626677
2-[4-[3-(6-tert-butylquinolin-8-yl)phenyl]phenyl]propanoic acid;formaldehyde
CID 142844199
ethane;quinoline-6-carboxylic acid
CID 91364452
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
8-pyridin-3-ylquinoline-6-carboxylic acid
CID 156718043
2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid
CID 102183000
8-(methylamino)quinoline-6-carboxylic acid
CID 170992656
2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylic acid;ruthenium
CID 175374249
2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid
CID 126729562

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butylquinolin-8-yl)-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(6-tert-butylquinolin-8-yl)-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid (CID 102337186) is 2-(6-tert-butylquinolin-8-yl)-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(6-tert-butylquinolin-8-yl)-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(6-tert-butylquinolin-8-yl)-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid is CC(C)(C)c1cc(-c2cc(C(=O)O)cc(-c3cc(C(=O)O)ccn3)n2)c2ncccc2c1.
What is the InChIKey of 2-(6-tert-butylquinolin-8-yl)-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid?
The InChIKey is JIXKXUGKUQYMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-25(2,3)17-9-14-5-4-7-27-22(14)18(13-17)19-11-16(24(31)32)12-21(28-19)20-10-15(23(29)30)6-8-26-20/h4-13H,1-3H3,(H,29,30)(H,31,32).
What are the key properties of 2-(6-tert-butylquinolin-8-yl)-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid?
2-(6-tert-butylquinolin-8-yl)-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid has a molecular weight of 427.46 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butylquinolin-8-yl)-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 102337186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).