methyl 4-(2-oxo-1H-quinolin-4-yl)butanoate

C14H15NO3 — CID 19379674

IUPACmethyl 4-(2-oxo-1H-quinolin-4-yl)butanoate
SMILESCOC(=O)CCCc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C14H15NO3/c1-18-14(17)8-4-5-10-9-13(16)15-12-7-3-2-6-11(10)12/h2-3,6-7,9H,4-5,8H2,1H3,(H,15,16)
InChIKeyZFEDVKBXFFOVQW-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.02
Rot. Bonds4

About methyl 4-(2-oxo-1H-quinolin-4-yl)butanoate

methyl 4-(2-oxo-1H-quinolin-4-yl)butanoate (PubChem CID 19379674) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 4-(2-oxo-1H-quinolin-4-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-oxo-1H-quinolin-4-yl)butanoate
PubChem CID19379674
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 4-(2-oxo-1H-quinolin-4-yl)butanoate
SMILESCOC(=O)CCCc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C14H15NO3/c1-18-14(17)8-4-5-10-9-13(16)15-12-7-3-2-6-11(10)12/h2-3,6-7,9H,4-5,8H2,1H3,(H,15,16)
InChIKeyZFEDVKBXFFOVQW-UHFFFAOYSA-N
XLogP2.02
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-oxo-1H-quinolin-4-yl)butanoate?
The IUPAC name of methyl 4-(2-oxo-1H-quinolin-4-yl)butanoate (CID 19379674) is methyl 4-(2-oxo-1H-quinolin-4-yl)butanoate.
What is the SMILES notation for methyl 4-(2-oxo-1H-quinolin-4-yl)butanoate?
The canonical SMILES for methyl 4-(2-oxo-1H-quinolin-4-yl)butanoate is COC(=O)CCCc1cc(=O)[nH]c2ccccc12.
What is the InChIKey of methyl 4-(2-oxo-1H-quinolin-4-yl)butanoate?
The InChIKey is ZFEDVKBXFFOVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-18-14(17)8-4-5-10-9-13(16)15-12-7-3-2-6-11(10)12/h2-3,6-7,9H,4-5,8H2,1H3,(H,15,16).
What are the key properties of methyl 4-(2-oxo-1H-quinolin-4-yl)butanoate?
methyl 4-(2-oxo-1H-quinolin-4-yl)butanoate has a molecular weight of 245.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-oxo-1H-quinolin-4-yl)butanoate is sourced from PubChem (CID 19379674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).