2-(8-chloro-2-oxoquinolin-1-yl)butanamide

C13H13ClN2O2 — CID 46853110

IUPAC2-(8-chloro-2-oxoquinolin-1-yl)butanamide
SMILESCCC(C(N)=O)n1c(=O)ccc2cccc(Cl)c21
InChIInChI=1S/C13H13ClN2O2/c1-2-10(13(15)18)16-11(17)7-6-8-4-3-5-9(14)12(8)16/h3-7,10H,2H2,1H3,(H2,15,18)
InChIKeyGEXQAISUAOMDPD-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.09
Rot. Bonds3

About 2-(8-chloro-2-oxoquinolin-1-yl)butanamide

2-(8-chloro-2-oxoquinolin-1-yl)butanamide (PubChem CID 46853110) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-(8-chloro-2-oxoquinolin-1-yl)butanamide.

Molecular Properties

Compound Name2-(8-chloro-2-oxoquinolin-1-yl)butanamide
PubChem CID46853110
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-(8-chloro-2-oxoquinolin-1-yl)butanamide
SMILESCCC(C(N)=O)n1c(=O)ccc2cccc(Cl)c21
InChIInChI=1S/C13H13ClN2O2/c1-2-10(13(15)18)16-11(17)7-6-8-4-3-5-9(14)12(8)16/h3-7,10H,2H2,1H3,(H2,15,18)
InChIKeyGEXQAISUAOMDPD-UHFFFAOYSA-N
XLogP2.09
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(8-chloro-2-oxoquinolin-1-yl)butanamide 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 2-(8-chloro-2-oxoquinolin-1-yl)butanamide?
The IUPAC name of 2-(8-chloro-2-oxoquinolin-1-yl)butanamide (CID 46853110) is 2-(8-chloro-2-oxoquinolin-1-yl)butanamide.
What is the SMILES notation for 2-(8-chloro-2-oxoquinolin-1-yl)butanamide?
The canonical SMILES for 2-(8-chloro-2-oxoquinolin-1-yl)butanamide is CCC(C(N)=O)n1c(=O)ccc2cccc(Cl)c21.
What is the InChIKey of 2-(8-chloro-2-oxoquinolin-1-yl)butanamide?
The InChIKey is GEXQAISUAOMDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-2-10(13(15)18)16-11(17)7-6-8-4-3-5-9(14)12(8)16/h3-7,10H,2H2,1H3,(H2,15,18).
What are the key properties of 2-(8-chloro-2-oxoquinolin-1-yl)butanamide?
2-(8-chloro-2-oxoquinolin-1-yl)butanamide has a molecular weight of 264.71 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-2-oxoquinolin-1-yl)butanamide is sourced from PubChem (CID 46853110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).