8-bromo-7-(2-fluoro-3,4-dimethyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one

C17H17BrFN3O2 — CID 118498824

IUPAC8-bromo-7-(2-fluoro-3,4-dimethyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one
SMILESCC1C(F)OCCC1(C)c1cc2ncc3[nH]c(=O)[nH]c3c2cc1Br
InChIInChI=1S/C17H17BrFN3O2/c1-8-15(19)24-4-3-17(8,2)10-6-12-9(5-11(10)18)14-13(7-20-12)21-16(23)22-14/h5-8,15H,3-4H2,1-2H3,(H2,21,22,23)
InChIKeyMOKXUFWSIZBZRN-UHFFFAOYSA-N
MW394.24 g/mol
LogP3.78
Rot. Bonds1

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

8-bromo-7-(2-fluoro-3,4-dimethyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one (PubChem CID 118498824) has the molecular formula C17H17BrFN3O2 and a molecular weight of 394.24 g/mol. Its IUPAC name is 8-bromo-7-(2-fluoro-3,4-dimethyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-7-(2-fluoro-3,4-dimethyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one
PubChem CID118498824
Molecular FormulaC17H17BrFN3O2
Molecular Weight394.24 g/mol
Exact Mass393.05
IUPAC Name8-bromo-7-(2-fluoro-3,4-dimethyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one
SMILESCC1C(F)OCCC1(C)c1cc2ncc3[nH]c(=O)[nH]c3c2cc1Br
InChIInChI=1S/C17H17BrFN3O2/c1-8-15(19)24-4-3-17(8,2)10-6-12-9(5-11(10)18)14-13(7-20-12)21-16(23)22-14/h5-8,15H,3-4H2,1-2H3,(H2,21,22,23)
InChIKeyMOKXUFWSIZBZRN-UHFFFAOYSA-N
XLogP3.78
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.24
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-(2-fluoro-3,4-dimethyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-7-(2-fluoro-3,4-dimethyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one (CID 118498824) is 8-bromo-7-(2-fluoro-3,4-dimethyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-7-(2-fluoro-3,4-dimethyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-7-(2-fluoro-3,4-dimethyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one is CC1C(F)OCCC1(C)c1cc2ncc3[nH]c(=O)[nH]c3c2cc1Br.
What is the InChIKey of 8-bromo-7-(2-fluoro-3,4-dimethyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
The InChIKey is MOKXUFWSIZBZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN3O2/c1-8-15(19)24-4-3-17(8,2)10-6-12-9(5-11(10)18)14-13(7-20-12)21-16(23)22-14/h5-8,15H,3-4H2,1-2H3,(H2,21,22,23).
What are the key properties of 8-bromo-7-(2-fluoro-3,4-dimethyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
8-bromo-7-(2-fluoro-3,4-dimethyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one has a molecular weight of 394.24 g/mol, XLogP of 3.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-(2-fluoro-3,4-dimethyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118498824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).