2-[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine

C22H17FN4S — CID 11303793

IUPAC2-[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine
SMILESNCCc1ccc(-n2cnc3cnc4cc(F)c(-c5ccsc5)cc4c32)cc1
InChIInChI=1S/C22H17FN4S/c23-19-10-20-18(9-17(19)15-6-8-28-12-15)22-21(11-25-20)26-13-27(22)16-3-1-14(2-4-16)5-7-24/h1-4,6,8-13H,5,7,24H2
InChIKeyZYFSOXDTLAXFPA-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.94
Rot. Bonds4

About 2-[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine

2-[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine (PubChem CID 11303793) has the molecular formula C22H17FN4S and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine
PubChem CID11303793
Molecular FormulaC22H17FN4S
Molecular Weight388.47 g/mol
Exact Mass388.12
IUPAC Name2-[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine
SMILESNCCc1ccc(-n2cnc3cnc4cc(F)c(-c5ccsc5)cc4c32)cc1
InChIInChI=1S/C22H17FN4S/c23-19-10-20-18(9-17(19)15-6-8-28-12-15)22-21(11-25-20)26-13-27(22)16-3-1-14(2-4-16)5-7-24/h1-4,6,8-13H,5,7,24H2
InChIKeyZYFSOXDTLAXFPA-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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Related Compounds

7-[5,6-Dimethyl-2-(1,3-Thiazol-2-Yl)-1h-Benzimidazol-1-Yl]quinazoline-2,4-Diamine
CID 46871716
7-(5,6-Dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 52918390
7-(5,6-Dimethyl-2-thiophen-3-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 67607902
7-[5,6-Dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]-6-methylquinazoline-2,4-diamine
CID 67889364
6-Thiophen-2-yl-6,12-dihydrobenzimidazolo[1,2-c]quinazoline
CID 3818611
2-thiophen-2-yl-3H-imidazo[4,5-c]quinoline
CID 10705898
N-(4-(6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-ylamino)phenethyl)thieno[3,2-d]pyrimidin-4-amine
CID 46883180
(S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-(aminomethyl)thiophen-3-yl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53320547
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-2-amine
CID 164627693
(2-Imidazol-1-yl-quinazolin-4-yl)-thiophen-2-ylmethyl-amine
CID 9995367
2-[4-(7-Chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 11304151
4-thiophen-2-yl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)-pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11498144

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine (CID 11303793) is 2-[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine is NCCc1ccc(-n2cnc3cnc4cc(F)c(-c5ccsc5)cc4c32)cc1.
What is the InChIKey of 2-[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine?
The InChIKey is ZYFSOXDTLAXFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4S/c23-19-10-20-18(9-17(19)15-6-8-28-12-15)22-21(11-25-20)26-13-27(22)16-3-1-14(2-4-16)5-7-24/h1-4,6,8-13H,5,7,24H2.
What are the key properties of 2-[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine?
2-[4-(7-fluoro-8-thiophen-3-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-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 11303793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).