2-(3-methyl-2-oxo-1H-quinolin-6-yl)butanoic acid

C14H15NO3 — CID 116997669

IUPAC2-(3-methyl-2-oxo-1H-quinolin-6-yl)butanoic acid
SMILESCCC(C(=O)O)c1ccc2[nH]c(=O)c(C)cc2c1
InChIInChI=1S/C14H15NO3/c1-3-11(14(17)18)9-4-5-12-10(7-9)6-8(2)13(16)15-12/h4-7,11H,3H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWPZXVULZYCRWSE-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.41
Rot. Bonds3

About 2-(3-methyl-2-oxo-1H-quinolin-6-yl)butanoic acid

2-(3-methyl-2-oxo-1H-quinolin-6-yl)butanoic acid (PubChem CID 116997669) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(3-methyl-2-oxo-1H-quinolin-6-yl)butanoic acid.

Molecular Properties

Compound Name2-(3-methyl-2-oxo-1H-quinolin-6-yl)butanoic acid
PubChem CID116997669
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(3-methyl-2-oxo-1H-quinolin-6-yl)butanoic acid
SMILESCCC(C(=O)O)c1ccc2[nH]c(=O)c(C)cc2c1
InChIInChI=1S/C14H15NO3/c1-3-11(14(17)18)9-4-5-12-10(7-9)6-8(2)13(16)15-12/h4-7,11H,3H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWPZXVULZYCRWSE-UHFFFAOYSA-N
XLogP2.41
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxo-1H-quinolin-6-yl)butanoic acid?
The IUPAC name of 2-(3-methyl-2-oxo-1H-quinolin-6-yl)butanoic acid (CID 116997669) is 2-(3-methyl-2-oxo-1H-quinolin-6-yl)butanoic acid.
What is the SMILES notation for 2-(3-methyl-2-oxo-1H-quinolin-6-yl)butanoic acid?
The canonical SMILES for 2-(3-methyl-2-oxo-1H-quinolin-6-yl)butanoic acid is CCC(C(=O)O)c1ccc2[nH]c(=O)c(C)cc2c1.
What is the InChIKey of 2-(3-methyl-2-oxo-1H-quinolin-6-yl)butanoic acid?
The InChIKey is WPZXVULZYCRWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-11(14(17)18)9-4-5-12-10(7-9)6-8(2)13(16)15-12/h4-7,11H,3H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-(3-methyl-2-oxo-1H-quinolin-6-yl)butanoic acid?
2-(3-methyl-2-oxo-1H-quinolin-6-yl)butanoic acid has a molecular weight of 245.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxo-1H-quinolin-6-yl)butanoic acid is sourced from PubChem (CID 116997669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).