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

C23H19FN4S — CID 69156246

IUPAC3-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine
SMILESNCCCc1ccc(-n2cnc3cnc4cc(F)c(-c5cccs5)cc4c32)cc1
InChIInChI=1S/C23H19FN4S/c24-19-12-20-18(11-17(19)22-4-2-10-29-22)23-21(13-26-20)27-14-28(23)16-7-5-15(6-8-16)3-1-9-25/h2,4-8,10-14H,1,3,9,25H2
InChIKeyKMHAPMOYLLIRQL-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.33
Rot. Bonds5

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

3-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine (PubChem CID 69156246) has the molecular formula C23H19FN4S and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine
PubChem CID69156246
Molecular FormulaC23H19FN4S
Molecular Weight402.50 g/mol
Exact Mass402.13
IUPAC Name3-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine
SMILESNCCCc1ccc(-n2cnc3cnc4cc(F)c(-c5cccs5)cc4c32)cc1
InChIInChI=1S/C23H19FN4S/c24-19-12-20-18(11-17(19)22-4-2-10-29-22)23-21(13-26-20)27-14-28(23)16-7-5-15(6-8-16)3-1-9-25/h2,4-8,10-14H,1,3,9,25H2
InChIKeyKMHAPMOYLLIRQL-UHFFFAOYSA-N
XLogP5.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine?
The IUPAC name of 3-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine (CID 69156246) is 3-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for 3-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine is NCCCc1ccc(-n2cnc3cnc4cc(F)c(-c5cccs5)cc4c32)cc1.
What is the InChIKey of 3-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine?
The InChIKey is KMHAPMOYLLIRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4S/c24-19-12-20-18(11-17(19)22-4-2-10-29-22)23-21(13-26-20)27-14-28(23)16-7-5-15(6-8-16)3-1-9-25/h2,4-8,10-14H,1,3,9,25H2.
What are the key properties of 3-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine?
3-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine has a molecular weight of 402.50 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 69156246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).