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

C22H17FN4S — CID 69156536

IUPAC2-[2-fluoro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine
SMILESNCCc1ccc(-n2cnc3cnc4ccc(-c5cccs5)cc4c32)cc1F
InChIInChI=1S/C22H17FN4S/c23-18-11-16(5-3-14(18)7-8-24)27-13-26-20-12-25-19-6-4-15(10-17(19)22(20)27)21-2-1-9-28-21/h1-6,9-13H,7-8,24H2
InChIKeyYVEZEHUFVOBZLQ-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.94
Rot. Bonds4

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

2-[2-fluoro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine (PubChem CID 69156536) has the molecular formula C22H17FN4S and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[2-fluoro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-fluoro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine
PubChem CID69156536
Molecular FormulaC22H17FN4S
Molecular Weight388.47 g/mol
Exact Mass388.12
IUPAC Name2-[2-fluoro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine
SMILESNCCc1ccc(-n2cnc3cnc4ccc(-c5cccs5)cc4c32)cc1F
InChIInChI=1S/C22H17FN4S/c23-18-11-16(5-3-14(18)7-8-24)27-13-26-20-12-25-19-6-4-15(10-17(19)22(20)27)21-2-1-9-28-21/h1-6,9-13H,7-8,24H2
InChIKeyYVEZEHUFVOBZLQ-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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[2-fluoro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine (CID 69156536) is 2-[2-fluoro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-fluoro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2-fluoro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine is NCCc1ccc(-n2cnc3cnc4ccc(-c5cccs5)cc4c32)cc1F.
What is the InChIKey of 2-[2-fluoro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine?
The InChIKey is YVEZEHUFVOBZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4S/c23-18-11-16(5-3-14(18)7-8-24)27-13-26-20-12-25-19-6-4-15(10-17(19)22(20)27)21-2-1-9-28-21/h1-6,9-13H,7-8,24H2.
What are the key properties of 2-[2-fluoro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine?
2-[2-fluoro-4-(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-[2-fluoro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 69156536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).