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

C52H42F2N8O4 — CID 160635046

IUPAC3-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propan-1-amine
SMILESNCCCc1ccc(-n2cnc3cnc4cc(F)c(-c5ccc6c(c5)OCO6)cc4c32)cc1.NCCCc1ccc(-n2cnc3cnc4cc(F)c(-c5ccc6c(c5)OCO6)cc4c32)cc1
InChIInChI=1S/2C26H21FN4O2/c2*27-21-12-22-20(11-19(21)17-5-8-24-25(10-17)33-15-32-24)26-23(13-29-22)30-14-31(26)18-6-3-16(4-7-18)2-1-9-28/h2*3-8,10-14H,1-2,9,15,28H2
InChIKeyRIKUGMWZBWZTMV-UHFFFAOYSA-N
MW880.96 g/mol
LogP10.00
Rot. Bonds10

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

3-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propan-1-amine (PubChem CID 160635046) has the molecular formula C52H42F2N8O4 and a molecular weight of 880.96 g/mol. Its IUPAC name is 3-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propan-1-amine
PubChem CID160635046
Molecular FormulaC52H42F2N8O4
Molecular Weight880.96 g/mol
Exact Mass880.33
IUPAC Name3-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propan-1-amine
SMILESNCCCc1ccc(-n2cnc3cnc4cc(F)c(-c5ccc6c(c5)OCO6)cc4c32)cc1.NCCCc1ccc(-n2cnc3cnc4cc(F)c(-c5ccc6c(c5)OCO6)cc4c32)cc1
InChIInChI=1S/2C26H21FN4O2/c2*27-21-12-22-20(11-19(21)17-5-8-24-25(10-17)33-15-32-24)26-23(13-29-22)30-14-31(26)18-6-3-16(4-7-18)2-1-9-28/h2*3-8,10-14H,1-2,9,15,28H2
InChIKeyRIKUGMWZBWZTMV-UHFFFAOYSA-N
XLogP10.00
TPSA150.38 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500880.96
LogP ≤ 510.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 3-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1,3-Benzodioxol-5-yl)-4-piperazin-1-ylquinazoline
CID 3234264
1-Benzo[1,3]dioxol-5-yl-2-[5-(3,4-dimethoxy-phenyl)-pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 11049430
6-(1,3-benzodioxol-5-yl)-N-(3-pyridinylmethyl)-4-quinazolinamine
CID 44142058
N-(2-(1H-imidazol-4-yl)ethyl)-6-(benzo[d][1,3]dioxol-5-yl)quinazolin-4-amine
CID 44223954
N-((1H-imidazol-2-yl)methyl)-6-(benzo[d][1,3]dioxol-5-yl)quinazolin-4-amine
CID 44223967
N-((1H-imidazol-2-yl)methyl)-6-(benzo[d][1,3]dioxol-5-yl)-N-methylquinazolin-4-amine
CID 44968225
6-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 3233257
6-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
CID 3233856
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-methyl-5H-pyrimido[5,4-b]indole
CID 658729
6-(1,3-benzodioxol-5-yl)-N-[(3-methylimidazol-4-yl)methyl]quinazolin-4-amine
CID 44223951
6-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-methylimidazol-4-yl)methyl]quinazolin-4-amine
CID 44968185
6-(1,3-benzodioxol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylquinazolin-4-amine
CID 44968235

Frequently Asked Questions

What is the IUPAC name of 3-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propan-1-amine?
The IUPAC name of 3-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propan-1-amine (CID 160635046) is 3-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propan-1-amine?
The canonical SMILES for 3-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propan-1-amine is NCCCc1ccc(-n2cnc3cnc4cc(F)c(-c5ccc6c(c5)OCO6)cc4c32)cc1.NCCCc1ccc(-n2cnc3cnc4cc(F)c(-c5ccc6c(c5)OCO6)cc4c32)cc1.
What is the InChIKey of 3-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propan-1-amine?
The InChIKey is RIKUGMWZBWZTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H21FN4O2/c2*27-21-12-22-20(11-19(21)17-5-8-24-25(10-17)33-15-32-24)26-23(13-29-22)30-14-31(26)18-6-3-16(4-7-18)2-1-9-28/h2*3-8,10-14H,1-2,9,15,28H2.
What are the key properties of 3-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propan-1-amine?
3-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propan-1-amine has a molecular weight of 880.96 g/mol, XLogP of 10.00, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propan-1-amine is sourced from PubChem (CID 160635046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).