8-bromo-7-fluoro-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one

C15H13BrFN3O2 — CID 118501909

IUPAC8-bromo-7-fluoro-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOC1CC(n2c(=O)[nH]c3cnc4cc(F)c(Br)cc4c32)C1
InChIInChI=1S/C15H13BrFN3O2/c1-22-8-2-7(3-8)20-14-9-4-10(16)11(17)5-12(9)18-6-13(14)19-15(20)21/h4-8H,2-3H2,1H3,(H,19,21)
InChIKeyXZRSEUYNKBUIIA-UHFFFAOYSA-N
MW366.19 g/mol
LogP3.13
Rot. Bonds2

About 8-bromo-7-fluoro-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one

8-bromo-7-fluoro-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 118501909) has the molecular formula C15H13BrFN3O2 and a molecular weight of 366.19 g/mol. Its IUPAC name is 8-bromo-7-fluoro-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-7-fluoro-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID118501909
Molecular FormulaC15H13BrFN3O2
Molecular Weight366.19 g/mol
Exact Mass365.02
IUPAC Name8-bromo-7-fluoro-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOC1CC(n2c(=O)[nH]c3cnc4cc(F)c(Br)cc4c32)C1
InChIInChI=1S/C15H13BrFN3O2/c1-22-8-2-7(3-8)20-14-9-4-10(16)11(17)5-12(9)18-6-13(14)19-15(20)21/h4-8H,2-3H2,1H3,(H,19,21)
InChIKeyXZRSEUYNKBUIIA-UHFFFAOYSA-N
XLogP3.13
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.19
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-bromo-7-fluoro-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-7-fluoro-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one (CID 118501909) is 8-bromo-7-fluoro-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-7-fluoro-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-7-fluoro-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one is COC1CC(n2c(=O)[nH]c3cnc4cc(F)c(Br)cc4c32)C1.
What is the InChIKey of 8-bromo-7-fluoro-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is XZRSEUYNKBUIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3O2/c1-22-8-2-7(3-8)20-14-9-4-10(16)11(17)5-12(9)18-6-13(14)19-15(20)21/h4-8H,2-3H2,1H3,(H,19,21).
What are the key properties of 8-bromo-7-fluoro-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one?
8-bromo-7-fluoro-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 366.19 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoro-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118501909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).