ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)propanoate

C15H17NO4 — CID 54696143

IUPACethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)propanoate
SMILESCCOC(=O)C(C)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C15H17NO4/c1-4-20-15(19)9(2)12-13(17)10-7-5-6-8-11(10)16(3)14(12)18/h5-9,17H,4H2,1-3H3
InChIKeyDLBZLVHCLWTZOK-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.91
Rot. Bonds3

About ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)propanoate

ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)propanoate (PubChem CID 54696143) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)propanoate
PubChem CID54696143
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Nameethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)propanoate
SMILESCCOC(=O)C(C)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C15H17NO4/c1-4-20-15(19)9(2)12-13(17)10-7-5-6-8-11(10)16(3)14(12)18/h5-9,17H,4H2,1-3H3
InChIKeyDLBZLVHCLWTZOK-UHFFFAOYSA-N
XLogP1.91
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-methyl-3-(3-methylbut-3-en-2-yl)quinolin-2-one
CID 54735254
3-butoxy-4-hydroxy-1-methylquinolin-2-one
CID 140995416
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927
4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613
3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one
CID 54680599
pentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate
CID 54704266
sodium 3-ethoxycarbonyl-1-methyl-2-oxoquinolin-4-olate
CID 134113066
4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140979748
3-[(4-fluorophenyl)-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-4-hydroxy-1-methylquinolin-2-one
CID 54682941
ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54688157
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
diethyl 2-(3-bromo-1-methylindol-2-yl)propanedioate
CID 135030998

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)propanoate?
The IUPAC name of ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)propanoate (CID 54696143) is ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)propanoate.
What is the SMILES notation for ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)propanoate?
The canonical SMILES for ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)propanoate is CCOC(=O)C(C)c1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)propanoate?
The InChIKey is DLBZLVHCLWTZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-4-20-15(19)9(2)12-13(17)10-7-5-6-8-11(10)16(3)14(12)18/h5-9,17H,4H2,1-3H3.
What are the key properties of ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)propanoate?
ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)propanoate has a molecular weight of 275.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)propanoate is sourced from PubChem (CID 54696143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).