2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine

C25H19FN4O2 — CID 69157036

IUPAC2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine
SMILESNCCc1ccc(-n2cnc3cnc4cc(F)c(-c5ccc6c(c5)OCO6)cc4c32)cc1
InChIInChI=1S/C25H19FN4O2/c26-20-11-21-19(10-18(20)16-3-6-23-24(9-16)32-14-31-23)25-22(12-28-21)29-13-30(25)17-4-1-15(2-5-17)7-8-27/h1-6,9-13H,7-8,14,27H2
InChIKeyOSQYUZQEWVJQKU-UHFFFAOYSA-N
MW426.45 g/mol
LogP4.61
Rot. Bonds4

About 2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine

2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine (PubChem CID 69157036) has the molecular formula C25H19FN4O2 and a molecular weight of 426.45 g/mol. Its IUPAC name is 2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine
PubChem CID69157036
Molecular FormulaC25H19FN4O2
Molecular Weight426.45 g/mol
Exact Mass426.15
IUPAC Name2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine
SMILESNCCc1ccc(-n2cnc3cnc4cc(F)c(-c5ccc6c(c5)OCO6)cc4c32)cc1
InChIInChI=1S/C25H19FN4O2/c26-20-11-21-19(10-18(20)16-3-6-23-24(9-16)32-14-31-23)25-22(12-28-21)29-13-30(25)17-4-1-15(2-5-17)7-8-27/h1-6,9-13H,7-8,14,27H2
InChIKeyOSQYUZQEWVJQKU-UHFFFAOYSA-N
XLogP4.61
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile
CID 158986136
2,3-bis[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]butanedinitrile
CID 69322457
8-(1,3-benzodioxol-5-yl)-1-[3-chloro-4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]imidazo[4,5-c]quinoline
CID 11454761
3-[4-[8-(1-benzofuran-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
CID 69157567
7-fluoro-1-phenyl-8-thiophen-3-ylimidazo[4,5-c]quinoline
CID 141118135
2-[4-(1,3-benzodioxol-5-yl)-5-bromo-1-methylimidazol-2-yl]ethanamine
CID 84605815
[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine
CID 83918221
2-[5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]ethanamine
CID 82478930
[3-(1,3-benzodioxol-5-ylmethyl)-5-(2,4-difluorophenyl)imidazol-4-yl]methanamine
CID 24765273
4-(aminomethyl)-2-(1,3-benzodioxol-5-yl)aniline
CID 139679587
6-(1,3-benzodioxol-5-yl)-1-(4-methylsulfonylphenyl)benzimidazole
CID 126669483
[5-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)triazol-4-yl]methanamine
CID 71692518

Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine?
The IUPAC name of 2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine (CID 69157036) is 2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine is NCCc1ccc(-n2cnc3cnc4cc(F)c(-c5ccc6c(c5)OCO6)cc4c32)cc1.
What is the InChIKey of 2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine?
The InChIKey is OSQYUZQEWVJQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O2/c26-20-11-21-19(10-18(20)16-3-6-23-24(9-16)32-14-31-23)25-22(12-28-21)29-13-30(25)17-4-1-15(2-5-17)7-8-27/h1-6,9-13H,7-8,14,27H2.
What are the key properties of 2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine?
2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine has a molecular weight of 426.45 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine is sourced from PubChem (CID 69157036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).