1-(8-amino-5-butoxy-4-ethylquinolin-6-yl)ethanone

C17H22N2O2 — CID 3008507

IUPAC1-(8-amino-5-butoxy-4-ethylquinolin-6-yl)ethanone
SMILESCCCCOc1c(C(C)=O)cc(N)c2nccc(CC)c12
InChIInChI=1S/C17H22N2O2/c1-4-6-9-21-17-13(11(3)20)10-14(18)16-15(17)12(5-2)7-8-19-16/h7-8,10H,4-6,9,18H2,1-3H3
InChIKeyXZCFTWCBYAUCHR-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.76
Rot. Bonds6

About 1-(8-amino-5-butoxy-4-ethylquinolin-6-yl)ethanone

1-(8-amino-5-butoxy-4-ethylquinolin-6-yl)ethanone (PubChem CID 3008507) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(8-amino-5-butoxy-4-ethylquinolin-6-yl)ethanone.

Molecular Properties

Compound Name1-(8-amino-5-butoxy-4-ethylquinolin-6-yl)ethanone
PubChem CID3008507
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(8-amino-5-butoxy-4-ethylquinolin-6-yl)ethanone
SMILESCCCCOc1c(C(C)=O)cc(N)c2nccc(CC)c12
InChIInChI=1S/C17H22N2O2/c1-4-6-9-21-17-13(11(3)20)10-14(18)16-15(17)12(5-2)7-8-19-16/h7-8,10H,4-6,9,18H2,1-3H3
InChIKeyXZCFTWCBYAUCHR-UHFFFAOYSA-N
XLogP3.76
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(8-amino-5-butoxy-4-ethylquinolin-6-yl)ethanone 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 1-(8-amino-5-butoxy-4-ethylquinolin-6-yl)ethanone?
The IUPAC name of 1-(8-amino-5-butoxy-4-ethylquinolin-6-yl)ethanone (CID 3008507) is 1-(8-amino-5-butoxy-4-ethylquinolin-6-yl)ethanone.
What is the SMILES notation for 1-(8-amino-5-butoxy-4-ethylquinolin-6-yl)ethanone?
The canonical SMILES for 1-(8-amino-5-butoxy-4-ethylquinolin-6-yl)ethanone is CCCCOc1c(C(C)=O)cc(N)c2nccc(CC)c12.
What is the InChIKey of 1-(8-amino-5-butoxy-4-ethylquinolin-6-yl)ethanone?
The InChIKey is XZCFTWCBYAUCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-6-9-21-17-13(11(3)20)10-14(18)16-15(17)12(5-2)7-8-19-16/h7-8,10H,4-6,9,18H2,1-3H3.
What are the key properties of 1-(8-amino-5-butoxy-4-ethylquinolin-6-yl)ethanone?
1-(8-amino-5-butoxy-4-ethylquinolin-6-yl)ethanone has a molecular weight of 286.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-amino-5-butoxy-4-ethylquinolin-6-yl)ethanone is sourced from PubChem (CID 3008507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).