ethyl 2-(2,8-dimethyl-4-oxoquinolin-1-yl)acetate

C15H17NO3 — CID 892728

IUPACethyl 2-(2,8-dimethyl-4-oxoquinolin-1-yl)acetate
SMILESCCOC(=O)Cn1c(C)cc(=O)c2cccc(C)c21
InChIInChI=1S/C15H17NO3/c1-4-19-14(18)9-16-11(3)8-13(17)12-7-5-6-10(2)15(12)16/h5-8H,4,9H2,1-3H3
InChIKeyMJEYESJLVCXAGP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.18
Rot. Bonds3

About ethyl 2-(2,8-dimethyl-4-oxoquinolin-1-yl)acetate

ethyl 2-(2,8-dimethyl-4-oxoquinolin-1-yl)acetate (PubChem CID 892728) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 2-(2,8-dimethyl-4-oxoquinolin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,8-dimethyl-4-oxoquinolin-1-yl)acetate
PubChem CID892728
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nameethyl 2-(2,8-dimethyl-4-oxoquinolin-1-yl)acetate
SMILESCCOC(=O)Cn1c(C)cc(=O)c2cccc(C)c21
InChIInChI=1S/C15H17NO3/c1-4-19-14(18)9-16-11(3)8-13(17)12-7-5-6-10(2)15(12)16/h5-8H,4,9H2,1-3H3
InChIKeyMJEYESJLVCXAGP-UHFFFAOYSA-N
XLogP2.18
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,8-dimethyl-4-oxoquinolin-1-yl)acetate?
The IUPAC name of ethyl 2-(2,8-dimethyl-4-oxoquinolin-1-yl)acetate (CID 892728) is ethyl 2-(2,8-dimethyl-4-oxoquinolin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2,8-dimethyl-4-oxoquinolin-1-yl)acetate?
The canonical SMILES for ethyl 2-(2,8-dimethyl-4-oxoquinolin-1-yl)acetate is CCOC(=O)Cn1c(C)cc(=O)c2cccc(C)c21.
What is the InChIKey of ethyl 2-(2,8-dimethyl-4-oxoquinolin-1-yl)acetate?
The InChIKey is MJEYESJLVCXAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-19-14(18)9-16-11(3)8-13(17)12-7-5-6-10(2)15(12)16/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 2-(2,8-dimethyl-4-oxoquinolin-1-yl)acetate?
ethyl 2-(2,8-dimethyl-4-oxoquinolin-1-yl)acetate has a molecular weight of 259.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,8-dimethyl-4-oxoquinolin-1-yl)acetate is sourced from PubChem (CID 892728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).