2-(8-methoxy-2-oxoquinolin-1-yl)butanoic acid

C14H15NO4 — CID 67540357

IUPAC2-(8-methoxy-2-oxoquinolin-1-yl)butanoic acid
SMILESCCC(C(=O)O)n1c(=O)ccc2cccc(OC)c21
InChIInChI=1S/C14H15NO4/c1-3-10(14(17)18)15-12(16)8-7-9-5-4-6-11(19-2)13(9)15/h4-8,10H,3H2,1-2H3,(H,17,18)
InChIKeyKENYKCBZCKCLQZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.05
Rot. Bonds4

About 2-(8-methoxy-2-oxoquinolin-1-yl)butanoic acid

2-(8-methoxy-2-oxoquinolin-1-yl)butanoic acid (PubChem CID 67540357) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(8-methoxy-2-oxoquinolin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(8-methoxy-2-oxoquinolin-1-yl)butanoic acid
PubChem CID67540357
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-(8-methoxy-2-oxoquinolin-1-yl)butanoic acid
SMILESCCC(C(=O)O)n1c(=O)ccc2cccc(OC)c21
InChIInChI=1S/C14H15NO4/c1-3-10(14(17)18)15-12(16)8-7-9-5-4-6-11(19-2)13(9)15/h4-8,10H,3H2,1-2H3,(H,17,18)
InChIKeyKENYKCBZCKCLQZ-UHFFFAOYSA-N
XLogP2.05
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-2-oxoquinolin-1-yl)butanoic acid?
The IUPAC name of 2-(8-methoxy-2-oxoquinolin-1-yl)butanoic acid (CID 67540357) is 2-(8-methoxy-2-oxoquinolin-1-yl)butanoic acid.
What is the SMILES notation for 2-(8-methoxy-2-oxoquinolin-1-yl)butanoic acid?
The canonical SMILES for 2-(8-methoxy-2-oxoquinolin-1-yl)butanoic acid is CCC(C(=O)O)n1c(=O)ccc2cccc(OC)c21.
What is the InChIKey of 2-(8-methoxy-2-oxoquinolin-1-yl)butanoic acid?
The InChIKey is KENYKCBZCKCLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-10(14(17)18)15-12(16)8-7-9-5-4-6-11(19-2)13(9)15/h4-8,10H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-(8-methoxy-2-oxoquinolin-1-yl)butanoic acid?
2-(8-methoxy-2-oxoquinolin-1-yl)butanoic acid has a molecular weight of 261.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-2-oxoquinolin-1-yl)butanoic acid is sourced from PubChem (CID 67540357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).