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

C16H15BrFN3O2 — CID 118523399

IUPAC8-bromo-7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCO[C@H]1CC[C@H](n2c(=O)[nH]c3cnc4cc(F)c(Br)cc4c32)C1
InChIInChI=1S/C16H15BrFN3O2/c1-23-9-3-2-8(4-9)21-15-10-5-11(17)12(18)6-13(10)19-7-14(15)20-16(21)22/h5-9H,2-4H2,1H3,(H,20,22)/t8-,9-/m0/s1
InChIKeyVGYFLWUPQAVKAZ-IUCAKERBSA-N
MW380.22 g/mol
LogP3.52
Rot. Bonds2

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

8-bromo-7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 118523399) has the molecular formula C16H15BrFN3O2 and a molecular weight of 380.22 g/mol. Its IUPAC name is 8-bromo-7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID118523399
Molecular FormulaC16H15BrFN3O2
Molecular Weight380.22 g/mol
Exact Mass379.03
IUPAC Name8-bromo-7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCO[C@H]1CC[C@H](n2c(=O)[nH]c3cnc4cc(F)c(Br)cc4c32)C1
InChIInChI=1S/C16H15BrFN3O2/c1-23-9-3-2-8(4-9)21-15-10-5-11(17)12(18)6-13(10)19-7-14(15)20-16(21)22/h5-9H,2-4H2,1H3,(H,20,22)/t8-,9-/m0/s1
InChIKeyVGYFLWUPQAVKAZ-IUCAKERBSA-N
XLogP3.52
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 53.52
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-[(1S,3S)-3-methoxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one (CID 118523399) is 8-bromo-7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one is CO[C@H]1CC[C@H](n2c(=O)[nH]c3cnc4cc(F)c(Br)cc4c32)C1.
What is the InChIKey of 8-bromo-7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is VGYFLWUPQAVKAZ-IUCAKERBSA-N. The full InChI is InChI=1S/C16H15BrFN3O2/c1-23-9-3-2-8(4-9)21-15-10-5-11(17)12(18)6-13(10)19-7-14(15)20-16(21)22/h5-9H,2-4H2,1H3,(H,20,22)/t8-,9-/m0/s1.
What are the key properties of 8-bromo-7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one?
8-bromo-7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 380.22 g/mol, XLogP of 3.52, 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-[(1S,3S)-3-methoxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118523399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).