6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid

C16H18BrNO2 — CID 82184140

IUPAC6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid
SMILESCCc1cc(Br)cc2c(C(=O)O)cc(C(C)(C)C)nc12
InChIInChI=1S/C16H18BrNO2/c1-5-9-6-10(17)7-11-12(15(19)20)8-13(16(2,3)4)18-14(9)11/h6-8H,5H2,1-4H3,(H,19,20)
InChIKeyGWQOTSVNOZDXCA-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.56
Rot. Bonds2

About 6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid

6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid (PubChem CID 82184140) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid
PubChem CID82184140
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid
SMILESCCc1cc(Br)cc2c(C(=O)O)cc(C(C)(C)C)nc12
InChIInChI=1S/C16H18BrNO2/c1-5-9-6-10(17)7-11-12(15(19)20)8-13(16(2,3)4)18-14(9)11/h6-8H,5H2,1-4H3,(H,19,20)
InChIKeyGWQOTSVNOZDXCA-UHFFFAOYSA-N
XLogP4.56
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-8-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid
CID 82184295
6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid
CID 102942112
6-bromo-8-ethyl-2-methoxyquinoline-3-carboxylic acid
CID 165460384
6,8-dibromo-2-tert-butyl-N-ethylquinolin-4-amine
CID 55196158
6-bromo-8-ethyl-3-methyl-2-phenylquinoline-4-carboxylic acid
CID 4712153
6-bromo-8-ethylquinoline-2-carboxylic acid
CID 102941526
5-bromo-2-chloro-3-ethylbenzoic acid
CID 20977666
3-(2-tert-butyl-8-ethylquinolin-4-yl)propanoic acid
CID 82448026
6,8-dibromo-2-butan-2-ylquinoline-4-carboxylic acid
CID 63462168
2-tert-butyl-7-methylquinoline-4-carboxylic acid
CID 82184128
6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid
CID 82184087
6-bromo-8-ethyl-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 81289179

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid (CID 82184140) is 6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid is CCc1cc(Br)cc2c(C(=O)O)cc(C(C)(C)C)nc12.
What is the InChIKey of 6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid?
The InChIKey is GWQOTSVNOZDXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-5-9-6-10(17)7-11-12(15(19)20)8-13(16(2,3)4)18-14(9)11/h6-8H,5H2,1-4H3,(H,19,20).
What are the key properties of 6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid?
6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid has a molecular weight of 336.23 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid is sourced from PubChem (CID 82184140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).