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

C17H17BrFN3O2 — CID 118498637

IUPAC8-bromo-7-[(1S,3S)-1-fluoro-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one
SMILESCO[C@H]1CC[C@@](F)(c2cc3ncc4c([nH]c(=O)n4C)c3cc2Br)C1
InChIInChI=1S/C17H17BrFN3O2/c1-22-14-8-20-13-6-11(17(19)4-3-9(7-17)24-2)12(18)5-10(13)15(14)21-16(22)23/h5-6,8-9H,3-4,7H2,1-2H3,(H,21,23)/t9-,17-/m0/s1
InChIKeyKGTZZIYINPYOOG-XYZCENFISA-N
MW394.24 g/mol
LogP3.54
Rot. Bonds2

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

8-bromo-7-[(1S,3S)-1-fluoro-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one (PubChem CID 118498637) has the molecular formula C17H17BrFN3O2 and a molecular weight of 394.24 g/mol. Its IUPAC name is 8-bromo-7-[(1S,3S)-1-fluoro-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-7-[(1S,3S)-1-fluoro-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one
PubChem CID118498637
Molecular FormulaC17H17BrFN3O2
Molecular Weight394.24 g/mol
Exact Mass393.05
IUPAC Name8-bromo-7-[(1S,3S)-1-fluoro-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one
SMILESCO[C@H]1CC[C@@](F)(c2cc3ncc4c([nH]c(=O)n4C)c3cc2Br)C1
InChIInChI=1S/C17H17BrFN3O2/c1-22-14-8-20-13-6-11(17(19)4-3-9(7-17)24-2)12(18)5-10(13)15(14)21-16(22)23/h5-6,8-9H,3-4,7H2,1-2H3,(H,21,23)/t9-,17-/m0/s1
InChIKeyKGTZZIYINPYOOG-XYZCENFISA-N
XLogP3.54
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.24
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-[(1S,3S)-1-fluoro-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-7-[(1S,3S)-1-fluoro-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one (CID 118498637) is 8-bromo-7-[(1S,3S)-1-fluoro-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-7-[(1S,3S)-1-fluoro-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-7-[(1S,3S)-1-fluoro-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one is CO[C@H]1CC[C@@](F)(c2cc3ncc4c([nH]c(=O)n4C)c3cc2Br)C1.
What is the InChIKey of 8-bromo-7-[(1S,3S)-1-fluoro-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is KGTZZIYINPYOOG-XYZCENFISA-N. The full InChI is InChI=1S/C17H17BrFN3O2/c1-22-14-8-20-13-6-11(17(19)4-3-9(7-17)24-2)12(18)5-10(13)15(14)21-16(22)23/h5-6,8-9H,3-4,7H2,1-2H3,(H,21,23)/t9-,17-/m0/s1.
What are the key properties of 8-bromo-7-[(1S,3S)-1-fluoro-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one?
8-bromo-7-[(1S,3S)-1-fluoro-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 394.24 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-[(1S,3S)-1-fluoro-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118498637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).