5-(8-bromo-4-methoxyquinolin-3-yl)thiophene-2-carboxylic acid

C15H10BrNO3S — CID 118407521

IUPAC5-(8-bromo-4-methoxyquinolin-3-yl)thiophene-2-carboxylic acid
SMILESCOc1c(-c2ccc(C(=O)O)s2)cnc2c(Br)cccc12
InChIInChI=1S/C15H10BrNO3S/c1-20-14-8-3-2-4-10(16)13(8)17-7-9(14)11-5-6-12(21-11)15(18)19/h2-7H,1H3,(H,18,19)
InChIKeyXFARXDMSEPRZMM-UHFFFAOYSA-N
MW364.22 g/mol
LogP4.43
Rot. Bonds3

About 5-(8-bromo-4-methoxyquinolin-3-yl)thiophene-2-carboxylic acid

5-(8-bromo-4-methoxyquinolin-3-yl)thiophene-2-carboxylic acid (PubChem CID 118407521) has the molecular formula C15H10BrNO3S and a molecular weight of 364.22 g/mol. Its IUPAC name is 5-(8-bromo-4-methoxyquinolin-3-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(8-bromo-4-methoxyquinolin-3-yl)thiophene-2-carboxylic acid
PubChem CID118407521
Molecular FormulaC15H10BrNO3S
Molecular Weight364.22 g/mol
Exact Mass362.96
IUPAC Name5-(8-bromo-4-methoxyquinolin-3-yl)thiophene-2-carboxylic acid
SMILESCOc1c(-c2ccc(C(=O)O)s2)cnc2c(Br)cccc12
InChIInChI=1S/C15H10BrNO3S/c1-20-14-8-3-2-4-10(16)13(8)17-7-9(14)11-5-6-12(21-11)15(18)19/h2-7H,1H3,(H,18,19)
InChIKeyXFARXDMSEPRZMM-UHFFFAOYSA-N
XLogP4.43
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(8-bromo-4-methoxyquinolin-3-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(8-bromo-4-methoxyquinolin-3-yl)thiophene-2-carboxylic acid (CID 118407521) is 5-(8-bromo-4-methoxyquinolin-3-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(8-bromo-4-methoxyquinolin-3-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(8-bromo-4-methoxyquinolin-3-yl)thiophene-2-carboxylic acid is COc1c(-c2ccc(C(=O)O)s2)cnc2c(Br)cccc12.
What is the InChIKey of 5-(8-bromo-4-methoxyquinolin-3-yl)thiophene-2-carboxylic acid?
The InChIKey is XFARXDMSEPRZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO3S/c1-20-14-8-3-2-4-10(16)13(8)17-7-9(14)11-5-6-12(21-11)15(18)19/h2-7H,1H3,(H,18,19).
What are the key properties of 5-(8-bromo-4-methoxyquinolin-3-yl)thiophene-2-carboxylic acid?
5-(8-bromo-4-methoxyquinolin-3-yl)thiophene-2-carboxylic acid has a molecular weight of 364.22 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-bromo-4-methoxyquinolin-3-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 118407521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).