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

C16H15BrFN3O2 — CID 118498872

IUPAC8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(C2CCOCC2)c2c3cc(Br)c(F)cc3ncc21
InChIInChI=1S/C16H15BrFN3O2/c1-20-14-8-19-13-7-12(18)11(17)6-10(13)15(14)21(16(20)22)9-2-4-23-5-3-9/h6-9H,2-5H2,1H3
InChIKeyLKGZXIKRWHYSQL-UHFFFAOYSA-N
MW380.22 g/mol
LogP3.14
Rot. Bonds1

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

8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 118498872) has the molecular formula C16H15BrFN3O2 and a molecular weight of 380.22 g/mol. Its IUPAC name is 8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID118498872
Molecular FormulaC16H15BrFN3O2
Molecular Weight380.22 g/mol
Exact Mass379.03
IUPAC Name8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(C2CCOCC2)c2c3cc(Br)c(F)cc3ncc21
InChIInChI=1S/C16H15BrFN3O2/c1-20-14-8-19-13-7-12(18)11(17)6-10(13)15(14)21(16(20)22)9-2-4-23-5-3-9/h6-9H,2-5H2,1H3
InChIKeyLKGZXIKRWHYSQL-UHFFFAOYSA-N
XLogP3.14
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one (CID 118498872) is 8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(C2CCOCC2)c2c3cc(Br)c(F)cc3ncc21.
What is the InChIKey of 8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is LKGZXIKRWHYSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3O2/c1-20-14-8-19-13-7-12(18)11(17)6-10(13)15(14)21(16(20)22)9-2-4-23-5-3-9/h6-9H,2-5H2,1H3.
What are the key properties of 8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one?
8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 380.22 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118498872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).