6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid

C13H12BrNO3 — CID 102942112

IUPAC6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid
SMILESCCc1cc(Br)cc2c(OC)cc(C(=O)O)nc12
InChIInChI=1S/C13H12BrNO3/c1-3-7-4-8(14)5-9-11(18-2)6-10(13(16)17)15-12(7)9/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeySUMSIZDHDMRKDA-UHFFFAOYSA-N
MW310.15 g/mol
LogP3.27
Rot. Bonds3

About 6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid

6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid (PubChem CID 102942112) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid
PubChem CID102942112
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid
SMILESCCc1cc(Br)cc2c(OC)cc(C(=O)O)nc12
InChIInChI=1S/C13H12BrNO3/c1-3-7-4-8(14)5-9-11(18-2)6-10(13(16)17)15-12(7)9/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeySUMSIZDHDMRKDA-UHFFFAOYSA-N
XLogP3.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-8-ethylquinoline-2-carboxylic acid
CID 102941526
6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid
CID 102941991
6-bromo-8-ethyl-2-methoxyquinoline-3-carboxylic acid
CID 165460384
6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid
CID 82184140
6-bromo-8-ethyl-3-methyl-2-phenylquinoline-4-carboxylic acid
CID 4712153
4-ethoxy-6-methoxy-8-methylquinoline-2-carboxylic acid
CID 53491075
7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
CID 102941914
6-(bromomethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134665153
6-butan-2-yl-4-methoxyquinoline-2-carboxylic acid
CID 102941998
4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid
CID 121004218
2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid
CID 82575003
6-bromo-8-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid
CID 82184295

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid?
The IUPAC name of 6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid (CID 102942112) is 6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid.
What is the SMILES notation for 6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid?
The canonical SMILES for 6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid is CCc1cc(Br)cc2c(OC)cc(C(=O)O)nc12.
What is the InChIKey of 6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid?
The InChIKey is SUMSIZDHDMRKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c1-3-7-4-8(14)5-9-11(18-2)6-10(13(16)17)15-12(7)9/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of 6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid?
6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid has a molecular weight of 310.15 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid is sourced from PubChem (CID 102942112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).