1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]-4-methoxybutan-1-one

C20H25N3O2S — CID 160560333

IUPAC1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]-4-methoxybutan-1-one
SMILESCOCCCC(=O)c1ccc2c(c1)nc(NCCN(C)C)c1ccsc12
InChIInChI=1S/C20H25N3O2S/c1-23(2)10-9-21-20-16-8-12-26-19(16)15-7-6-14(13-17(15)22-20)18(24)5-4-11-25-3/h6-8,12-13H,4-5,9-11H2,1-3H3,(H,21,22)
InChIKeyQZFKTCIVWOHHIB-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.03
Rot. Bonds9

About 1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]-4-methoxybutan-1-one

1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]-4-methoxybutan-1-one (PubChem CID 160560333) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]-4-methoxybutan-1-one.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]-4-methoxybutan-1-one
PubChem CID160560333
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]-4-methoxybutan-1-one
SMILESCOCCCC(=O)c1ccc2c(c1)nc(NCCN(C)C)c1ccsc12
InChIInChI=1S/C20H25N3O2S/c1-23(2)10-9-21-20-16-8-12-26-19(16)15-7-6-14(13-17(15)22-20)18(24)5-4-11-25-3/h6-8,12-13H,4-5,9-11H2,1-3H3,(H,21,22)
InChIKeyQZFKTCIVWOHHIB-UHFFFAOYSA-N
XLogP4.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]-4-methoxybutan-1-one 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-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]-4-methoxybutan-1-one?
The IUPAC name of 1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]-4-methoxybutan-1-one (CID 160560333) is 1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]-4-methoxybutan-1-one.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]-4-methoxybutan-1-one?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]-4-methoxybutan-1-one is COCCCC(=O)c1ccc2c(c1)nc(NCCN(C)C)c1ccsc12.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]-4-methoxybutan-1-one?
The InChIKey is QZFKTCIVWOHHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-23(2)10-9-21-20-16-8-12-26-19(16)15-7-6-14(13-17(15)22-20)18(24)5-4-11-25-3/h6-8,12-13H,4-5,9-11H2,1-3H3,(H,21,22).
What are the key properties of 1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]-4-methoxybutan-1-one?
1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]-4-methoxybutan-1-one has a molecular weight of 371.51 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]-4-methoxybutan-1-one is sourced from PubChem (CID 160560333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).