1-(8-amino-4-ethyl-5-propoxyquinolin-6-yl)ethanone

C16H20N2O2 — CID 3008505

IUPAC1-(8-amino-4-ethyl-5-propoxyquinolin-6-yl)ethanone
SMILESCCCOc1c(C(C)=O)cc(N)c2nccc(CC)c12
InChIInChI=1S/C16H20N2O2/c1-4-8-20-16-12(10(3)19)9-13(17)15-14(16)11(5-2)6-7-18-15/h6-7,9H,4-5,8,17H2,1-3H3
InChIKeyZUJNRNWEFRUZCW-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.37
Rot. Bonds5

About 1-(8-amino-4-ethyl-5-propoxyquinolin-6-yl)ethanone

1-(8-amino-4-ethyl-5-propoxyquinolin-6-yl)ethanone (PubChem CID 3008505) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(8-amino-4-ethyl-5-propoxyquinolin-6-yl)ethanone.

Molecular Properties

Compound Name1-(8-amino-4-ethyl-5-propoxyquinolin-6-yl)ethanone
PubChem CID3008505
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(8-amino-4-ethyl-5-propoxyquinolin-6-yl)ethanone
SMILESCCCOc1c(C(C)=O)cc(N)c2nccc(CC)c12
InChIInChI=1S/C16H20N2O2/c1-4-8-20-16-12(10(3)19)9-13(17)15-14(16)11(5-2)6-7-18-15/h6-7,9H,4-5,8,17H2,1-3H3
InChIKeyZUJNRNWEFRUZCW-UHFFFAOYSA-N
XLogP3.37
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(8-amino-4-ethyl-5-propoxyquinolin-6-yl)ethanone?
The IUPAC name of 1-(8-amino-4-ethyl-5-propoxyquinolin-6-yl)ethanone (CID 3008505) is 1-(8-amino-4-ethyl-5-propoxyquinolin-6-yl)ethanone.
What is the SMILES notation for 1-(8-amino-4-ethyl-5-propoxyquinolin-6-yl)ethanone?
The canonical SMILES for 1-(8-amino-4-ethyl-5-propoxyquinolin-6-yl)ethanone is CCCOc1c(C(C)=O)cc(N)c2nccc(CC)c12.
What is the InChIKey of 1-(8-amino-4-ethyl-5-propoxyquinolin-6-yl)ethanone?
The InChIKey is ZUJNRNWEFRUZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-8-20-16-12(10(3)19)9-13(17)15-14(16)11(5-2)6-7-18-15/h6-7,9H,4-5,8,17H2,1-3H3.
What are the key properties of 1-(8-amino-4-ethyl-5-propoxyquinolin-6-yl)ethanone?
1-(8-amino-4-ethyl-5-propoxyquinolin-6-yl)ethanone has a molecular weight of 272.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-amino-4-ethyl-5-propoxyquinolin-6-yl)ethanone is sourced from PubChem (CID 3008505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).