ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate

C22H23NO4 — CID 13180335

IUPACethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate
SMILESCCOC(=O)CCCn1c(=O)c(-c2ccc(OC)cc2)cc2ccccc21
InChIInChI=1S/C22H23NO4/c1-3-27-21(24)9-6-14-23-20-8-5-4-7-17(20)15-19(22(23)25)16-10-12-18(26-2)13-11-16/h4-5,7-8,10-13,15H,3,6,9,14H2,1-2H3
InChIKeyJXTVAFFVUAZVHF-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.02
Rot. Bonds7

About ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate

ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate (PubChem CID 13180335) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate
PubChem CID13180335
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Nameethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate
SMILESCCOC(=O)CCCn1c(=O)c(-c2ccc(OC)cc2)cc2ccccc21
InChIInChI=1S/C22H23NO4/c1-3-27-21(24)9-6-14-23-20-8-5-4-7-17(20)15-19(22(23)25)16-10-12-18(26-2)13-11-16/h4-5,7-8,10-13,15H,3,6,9,14H2,1-2H3
InChIKeyJXTVAFFVUAZVHF-UHFFFAOYSA-N
XLogP4.02
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate?
The IUPAC name of ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate (CID 13180335) is ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate.
What is the SMILES notation for ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate?
The canonical SMILES for ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate is CCOC(=O)CCCn1c(=O)c(-c2ccc(OC)cc2)cc2ccccc21.
What is the InChIKey of ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate?
The InChIKey is JXTVAFFVUAZVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-3-27-21(24)9-6-14-23-20-8-5-4-7-17(20)15-19(22(23)25)16-10-12-18(26-2)13-11-16/h4-5,7-8,10-13,15H,3,6,9,14H2,1-2H3.
What are the key properties of ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate?
ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate has a molecular weight of 365.43 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate is sourced from PubChem (CID 13180335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).