(7-amino-4-butoxy-1-ethyl-2-oxoquinolin-3-yl) acetate

C17H22N2O4 — CID 23300562

IUPAC(7-amino-4-butoxy-1-ethyl-2-oxoquinolin-3-yl) acetate
SMILESCCCCOc1c(OC(C)=O)c(=O)n(CC)c2cc(N)ccc12
InChIInChI=1S/C17H22N2O4/c1-4-6-9-22-15-13-8-7-12(18)10-14(13)19(5-2)17(21)16(15)23-11(3)20/h7-8,10H,4-6,9,18H2,1-3H3
InChIKeyJGMDLVJHVWCYDU-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.71
Rot. Bonds6

About (7-amino-4-butoxy-1-ethyl-2-oxoquinolin-3-yl) acetate

(7-amino-4-butoxy-1-ethyl-2-oxoquinolin-3-yl) acetate (PubChem CID 23300562) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (7-amino-4-butoxy-1-ethyl-2-oxoquinolin-3-yl) acetate.

Molecular Properties

Compound Name(7-amino-4-butoxy-1-ethyl-2-oxoquinolin-3-yl) acetate
PubChem CID23300562
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(7-amino-4-butoxy-1-ethyl-2-oxoquinolin-3-yl) acetate
SMILESCCCCOc1c(OC(C)=O)c(=O)n(CC)c2cc(N)ccc12
InChIInChI=1S/C17H22N2O4/c1-4-6-9-22-15-13-8-7-12(18)10-14(13)19(5-2)17(21)16(15)23-11(3)20/h7-8,10H,4-6,9,18H2,1-3H3
InChIKeyJGMDLVJHVWCYDU-UHFFFAOYSA-N
XLogP2.71
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (7-amino-4-butoxy-1-ethyl-2-oxoquinolin-3-yl) acetate 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 (7-amino-4-butoxy-1-ethyl-2-oxoquinolin-3-yl) acetate?
The IUPAC name of (7-amino-4-butoxy-1-ethyl-2-oxoquinolin-3-yl) acetate (CID 23300562) is (7-amino-4-butoxy-1-ethyl-2-oxoquinolin-3-yl) acetate.
What is the SMILES notation for (7-amino-4-butoxy-1-ethyl-2-oxoquinolin-3-yl) acetate?
The canonical SMILES for (7-amino-4-butoxy-1-ethyl-2-oxoquinolin-3-yl) acetate is CCCCOc1c(OC(C)=O)c(=O)n(CC)c2cc(N)ccc12.
What is the InChIKey of (7-amino-4-butoxy-1-ethyl-2-oxoquinolin-3-yl) acetate?
The InChIKey is JGMDLVJHVWCYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-4-6-9-22-15-13-8-7-12(18)10-14(13)19(5-2)17(21)16(15)23-11(3)20/h7-8,10H,4-6,9,18H2,1-3H3.
What are the key properties of (7-amino-4-butoxy-1-ethyl-2-oxoquinolin-3-yl) acetate?
(7-amino-4-butoxy-1-ethyl-2-oxoquinolin-3-yl) acetate has a molecular weight of 318.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-4-butoxy-1-ethyl-2-oxoquinolin-3-yl) acetate is sourced from PubChem (CID 23300562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).