2-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine

C22H17FN4S — CID 11463389

IUPAC2-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine
SMILESNCCc1ccc(-n2cnc3cnc4cc(F)c(-c5cccs5)cc4c32)cc1
InChIInChI=1S/C22H17FN4S/c23-18-11-19-17(10-16(18)21-2-1-9-28-21)22-20(12-25-19)26-13-27(22)15-5-3-14(4-6-15)7-8-24/h1-6,9-13H,7-8,24H2
InChIKeyFCALGTYABKMUGO-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.94
Rot. Bonds4

About 2-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine

2-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine (PubChem CID 11463389) has the molecular formula C22H17FN4S and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine
PubChem CID11463389
Molecular FormulaC22H17FN4S
Molecular Weight388.47 g/mol
Exact Mass388.12
IUPAC Name2-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine
SMILESNCCc1ccc(-n2cnc3cnc4cc(F)c(-c5cccs5)cc4c32)cc1
InChIInChI=1S/C22H17FN4S/c23-18-11-19-17(10-16(18)21-2-1-9-28-21)22-20(12-25-19)26-13-27(22)15-5-3-14(4-6-15)7-8-24/h1-6,9-13H,7-8,24H2
InChIKeyFCALGTYABKMUGO-UHFFFAOYSA-N
XLogP4.94
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine 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 2-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine (CID 11463389) is 2-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine is NCCc1ccc(-n2cnc3cnc4cc(F)c(-c5cccs5)cc4c32)cc1.
What is the InChIKey of 2-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine?
The InChIKey is FCALGTYABKMUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4S/c23-18-11-19-17(10-16(18)21-2-1-9-28-21)22-20(12-25-19)26-13-27(22)15-5-3-14(4-6-15)7-8-24/h1-6,9-13H,7-8,24H2.
What are the key properties of 2-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine?
2-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine has a molecular weight of 388.47 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 11463389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).