1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone

C17H22N4O3 — CID 14068999

IUPAC1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone
SMILESCOc1cc2nc(N3CCN(C(C)=O)CC3)cc(N)c2cc1OC
InChIInChI=1S/C17H22N4O3/c1-11(22)20-4-6-21(7-5-20)17-9-13(18)12-8-15(23-2)16(24-3)10-14(12)19-17/h8-10H,4-7H2,1-3H3,(H2,18,19)
InChIKeySGSKYLGFEYUIRR-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.50
Rot. Bonds3

About 1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone

1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone (PubChem CID 14068999) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone
PubChem CID14068999
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone
SMILESCOc1cc2nc(N3CCN(C(C)=O)CC3)cc(N)c2cc1OC
InChIInChI=1S/C17H22N4O3/c1-11(22)20-4-6-21(7-5-20)17-9-13(18)12-8-15(23-2)16(24-3)10-14(12)19-17/h8-10H,4-7H2,1-3H3,(H2,18,19)
InChIKeySGSKYLGFEYUIRR-UHFFFAOYSA-N
XLogP1.50
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-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-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone (CID 14068999) is 1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone is COc1cc2nc(N3CCN(C(C)=O)CC3)cc(N)c2cc1OC.
What is the InChIKey of 1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is SGSKYLGFEYUIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(22)20-4-6-21(7-5-20)17-9-13(18)12-8-15(23-2)16(24-3)10-14(12)19-17/h8-10H,4-7H2,1-3H3,(H2,18,19).
What are the key properties of 1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone?
1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 330.39 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 14068999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).