8-(3-methylbut-2-enyl)quinoline-2-carboxylic acid

C15H15NO2 — CID 46909978

IUPAC8-(3-methylbut-2-enyl)quinoline-2-carboxylic acid
SMILESCC(C)=CCc1cccc2ccc(C(=O)O)nc12
InChIInChI=1S/C15H15NO2/c1-10(2)6-7-11-4-3-5-12-8-9-13(15(17)18)16-14(11)12/h3-6,8-9H,7H2,1-2H3,(H,17,18)
InChIKeyZIFDBDYESJDTSE-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.44
Rot. Bonds3

About 8-(3-methylbut-2-enyl)quinoline-2-carboxylic acid

8-(3-methylbut-2-enyl)quinoline-2-carboxylic acid (PubChem CID 46909978) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 8-(3-methylbut-2-enyl)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-(3-methylbut-2-enyl)quinoline-2-carboxylic acid
PubChem CID46909978
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name8-(3-methylbut-2-enyl)quinoline-2-carboxylic acid
SMILESCC(C)=CCc1cccc2ccc(C(=O)O)nc12
InChIInChI=1S/C15H15NO2/c1-10(2)6-7-11-4-3-5-12-8-9-13(15(17)18)16-14(11)12/h3-6,8-9H,7H2,1-2H3,(H,17,18)
InChIKeyZIFDBDYESJDTSE-UHFFFAOYSA-N
XLogP3.44
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methylbut-2-enyl)quinoline-2-carboxylic acid?
The IUPAC name of 8-(3-methylbut-2-enyl)quinoline-2-carboxylic acid (CID 46909978) is 8-(3-methylbut-2-enyl)quinoline-2-carboxylic acid.
What is the SMILES notation for 8-(3-methylbut-2-enyl)quinoline-2-carboxylic acid?
The canonical SMILES for 8-(3-methylbut-2-enyl)quinoline-2-carboxylic acid is CC(C)=CCc1cccc2ccc(C(=O)O)nc12.
What is the InChIKey of 8-(3-methylbut-2-enyl)quinoline-2-carboxylic acid?
The InChIKey is ZIFDBDYESJDTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10(2)6-7-11-4-3-5-12-8-9-13(15(17)18)16-14(11)12/h3-6,8-9H,7H2,1-2H3,(H,17,18).
What are the key properties of 8-(3-methylbut-2-enyl)quinoline-2-carboxylic acid?
8-(3-methylbut-2-enyl)quinoline-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylbut-2-enyl)quinoline-2-carboxylic acid is sourced from PubChem (CID 46909978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).