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

C13H9BrFN3O2 — CID 118498615

IUPAC8-bromo-7-fluoro-1-(oxetan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3cc(F)c(Br)cc3c2n1C1COC1
InChIInChI=1S/C13H9BrFN3O2/c14-8-1-7-10(2-9(8)15)16-3-11-12(7)18(13(19)17-11)6-4-20-5-6/h1-3,6H,4-5H2,(H,17,19)
InChIKeyGXEAQRKCHQDMKA-UHFFFAOYSA-N
MW338.14 g/mol
LogP2.35
Rot. Bonds1

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

8-bromo-7-fluoro-1-(oxetan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 118498615) has the molecular formula C13H9BrFN3O2 and a molecular weight of 338.14 g/mol. Its IUPAC name is 8-bromo-7-fluoro-1-(oxetan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-7-fluoro-1-(oxetan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID118498615
Molecular FormulaC13H9BrFN3O2
Molecular Weight338.14 g/mol
Exact Mass336.99
IUPAC Name8-bromo-7-fluoro-1-(oxetan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3cc(F)c(Br)cc3c2n1C1COC1
InChIInChI=1S/C13H9BrFN3O2/c14-8-1-7-10(2-9(8)15)16-3-11-12(7)18(13(19)17-11)6-4-20-5-6/h1-3,6H,4-5H2,(H,17,19)
InChIKeyGXEAQRKCHQDMKA-UHFFFAOYSA-N
XLogP2.35
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.14
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-1-(oxetan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-7-fluoro-1-(oxetan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one (CID 118498615) is 8-bromo-7-fluoro-1-(oxetan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-7-fluoro-1-(oxetan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-7-fluoro-1-(oxetan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one is O=c1[nH]c2cnc3cc(F)c(Br)cc3c2n1C1COC1.
What is the InChIKey of 8-bromo-7-fluoro-1-(oxetan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is GXEAQRKCHQDMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O2/c14-8-1-7-10(2-9(8)15)16-3-11-12(7)18(13(19)17-11)6-4-20-5-6/h1-3,6H,4-5H2,(H,17,19).
What are the key properties of 8-bromo-7-fluoro-1-(oxetan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one?
8-bromo-7-fluoro-1-(oxetan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 338.14 g/mol, XLogP of 2.35, 1 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-(oxetan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118498615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).