6-butyl-2-methylquinoline-4-carboxylic acid

C15H17NO2 — CID 4572965

IUPAC6-butyl-2-methylquinoline-4-carboxylic acid
SMILESCCCCc1ccc2nc(C)cc(C(=O)O)c2c1
InChIInChI=1S/C15H17NO2/c1-3-4-5-11-6-7-14-12(9-11)13(15(17)18)8-10(2)16-14/h6-9H,3-5H2,1-2H3,(H,17,18)
InChIKeyIKEHRTXOJIUKNM-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.58
Rot. Bonds4

About 6-butyl-2-methylquinoline-4-carboxylic acid

6-butyl-2-methylquinoline-4-carboxylic acid (PubChem CID 4572965) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-butyl-2-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-butyl-2-methylquinoline-4-carboxylic acid
PubChem CID4572965
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name6-butyl-2-methylquinoline-4-carboxylic acid
SMILESCCCCc1ccc2nc(C)cc(C(=O)O)c2c1
InChIInChI=1S/C15H17NO2/c1-3-4-5-11-6-7-14-12(9-11)13(15(17)18)8-10(2)16-14/h6-9H,3-5H2,1-2H3,(H,17,18)
InChIKeyIKEHRTXOJIUKNM-UHFFFAOYSA-N
XLogP3.58
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-methylquinoline-4-carboxylic acid?
The IUPAC name of 6-butyl-2-methylquinoline-4-carboxylic acid (CID 4572965) is 6-butyl-2-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-butyl-2-methylquinoline-4-carboxylic acid?
The canonical SMILES for 6-butyl-2-methylquinoline-4-carboxylic acid is CCCCc1ccc2nc(C)cc(C(=O)O)c2c1.
What is the InChIKey of 6-butyl-2-methylquinoline-4-carboxylic acid?
The InChIKey is IKEHRTXOJIUKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-4-5-11-6-7-14-12(9-11)13(15(17)18)8-10(2)16-14/h6-9H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 6-butyl-2-methylquinoline-4-carboxylic acid?
6-butyl-2-methylquinoline-4-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 4572965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).