2-[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]ethanamine

C26H19FN4O — CID 69156959

IUPAC2-[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]ethanamine
SMILESNCCc1ccc(-n2cnc3cnc4ccc(-c5cc6ccccc6o5)cc4c32)cc1F
InChIInChI=1S/C26H19FN4O/c27-21-13-19(7-5-16(21)9-10-28)31-15-30-23-14-29-22-8-6-18(11-20(22)26(23)31)25-12-17-3-1-2-4-24(17)32-25/h1-8,11-15H,9-10,28H2
InChIKeyXIRKBTUZSIQPGG-UHFFFAOYSA-N
MW422.46 g/mol
LogP5.63
Rot. Bonds4

About 2-[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]ethanamine

2-[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]ethanamine (PubChem CID 69156959) has the molecular formula C26H19FN4O and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]ethanamine
PubChem CID69156959
Molecular FormulaC26H19FN4O
Molecular Weight422.46 g/mol
Exact Mass422.15
IUPAC Name2-[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]ethanamine
SMILESNCCc1ccc(-n2cnc3cnc4ccc(-c5cc6ccccc6o5)cc4c32)cc1F
InChIInChI=1S/C26H19FN4O/c27-21-13-19(7-5-16(21)9-10-28)31-15-30-23-14-29-22-8-6-18(11-20(22)26(23)31)25-12-17-3-1-2-4-24(17)32-25/h1-8,11-15H,9-10,28H2
InChIKeyXIRKBTUZSIQPGG-UHFFFAOYSA-N
XLogP5.63
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.46
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]ethanamine?
The IUPAC name of 2-[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]ethanamine (CID 69156959) is 2-[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]ethanamine?
The canonical SMILES for 2-[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]ethanamine is NCCc1ccc(-n2cnc3cnc4ccc(-c5cc6ccccc6o5)cc4c32)cc1F.
What is the InChIKey of 2-[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]ethanamine?
The InChIKey is XIRKBTUZSIQPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O/c27-21-13-19(7-5-16(21)9-10-28)31-15-30-23-14-29-22-8-6-18(11-20(22)26(23)31)25-12-17-3-1-2-4-24(17)32-25/h1-8,11-15H,9-10,28H2.
What are the key properties of 2-[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]ethanamine?
2-[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]ethanamine has a molecular weight of 422.46 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]ethanamine is sourced from PubChem (CID 69156959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).