ethyl 1-butyl-4-hydroxy-2-oxoquinoline-3-carboxylate

C16H19NO4 — CID 54676404

IUPACethyl 1-butyl-4-hydroxy-2-oxoquinoline-3-carboxylate
SMILESCCCCn1c(=O)c(C(=O)OCC)c(O)c2ccccc21
InChIInChI=1S/C16H19NO4/c1-3-5-10-17-12-9-7-6-8-11(12)14(18)13(15(17)19)16(20)21-4-2/h6-9,18H,3-5,10H2,1-2H3
InChIKeyREXBLBADTJGIBP-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.68
Rot. Bonds5

About ethyl 1-butyl-4-hydroxy-2-oxoquinoline-3-carboxylate

ethyl 1-butyl-4-hydroxy-2-oxoquinoline-3-carboxylate (PubChem CID 54676404) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is ethyl 1-butyl-4-hydroxy-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-butyl-4-hydroxy-2-oxoquinoline-3-carboxylate
PubChem CID54676404
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Nameethyl 1-butyl-4-hydroxy-2-oxoquinoline-3-carboxylate
SMILESCCCCn1c(=O)c(C(=O)OCC)c(O)c2ccccc21
InChIInChI=1S/C16H19NO4/c1-3-5-10-17-12-9-7-6-8-11(12)14(18)13(15(17)19)16(20)21-4-2/h6-9,18H,3-5,10H2,1-2H3
InChIKeyREXBLBADTJGIBP-UHFFFAOYSA-N
XLogP2.68
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-butyl-4-hydroxy-2-oxoquinoline-3-carboxylate 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 1-butyl-4-hydroxy-2-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-butyl-4-hydroxy-2-oxoquinoline-3-carboxylate (CID 54676404) is ethyl 1-butyl-4-hydroxy-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-butyl-4-hydroxy-2-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-butyl-4-hydroxy-2-oxoquinoline-3-carboxylate is CCCCn1c(=O)c(C(=O)OCC)c(O)c2ccccc21.
What is the InChIKey of ethyl 1-butyl-4-hydroxy-2-oxoquinoline-3-carboxylate?
The InChIKey is REXBLBADTJGIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-3-5-10-17-12-9-7-6-8-11(12)14(18)13(15(17)19)16(20)21-4-2/h6-9,18H,3-5,10H2,1-2H3.
What are the key properties of ethyl 1-butyl-4-hydroxy-2-oxoquinoline-3-carboxylate?
ethyl 1-butyl-4-hydroxy-2-oxoquinoline-3-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-butyl-4-hydroxy-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 54676404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).