8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid

C18H14BrNO2 — CID 4261180

IUPAC8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)c3cccc(Br)c3n2)cc1
InChIInChI=1S/C18H14BrNO2/c1-2-11-6-8-12(9-7-11)16-10-14(18(21)22)13-4-3-5-15(19)17(13)20-16/h3-10H,2H2,1H3,(H,21,22)
InChIKeyVLEGKWHRSRTSNY-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.92
Rot. Bonds3

About 8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid

8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid (PubChem CID 4261180) has the molecular formula C18H14BrNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid
PubChem CID4261180
Molecular FormulaC18H14BrNO2
Molecular Weight356.22 g/mol
Exact Mass355.02
IUPAC Name8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)c3cccc(Br)c3n2)cc1
InChIInChI=1S/C18H14BrNO2/c1-2-11-6-8-12(9-7-11)16-10-14(18(21)22)13-4-3-5-15(19)17(13)20-16/h3-10H,2H2,1H3,(H,21,22)
InChIKeyVLEGKWHRSRTSNY-UHFFFAOYSA-N
XLogP4.92
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 3910389
2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate
CID 6975057
8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3497409
8-chloro-2-(4-ethylphenyl)quinoline-4-carbohydrazide
CID 5172981
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 1227056
8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid
CID 71039932
6-bromo-2-(4-ethylphenyl)quinoline-4-carbonyl chloride
CID 46779263
8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid
CID 163825423
6-(3-bromophenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548932
7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 18073631
2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one
CID 145465198

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid (CID 4261180) is 8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid is CCc1ccc(-c2cc(C(=O)O)c3cccc(Br)c3n2)cc1.
What is the InChIKey of 8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid?
The InChIKey is VLEGKWHRSRTSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO2/c1-2-11-6-8-12(9-7-11)16-10-14(18(21)22)13-4-3-5-15(19)17(13)20-16/h3-10H,2H2,1H3,(H,21,22).
What are the key properties of 8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid?
8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid has a molecular weight of 356.22 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 4261180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).