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

C15H13BrFN3O2 — CID 118498647

IUPAC8-bromo-7-fluoro-4-[(1S)-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2c([C@H]3CCC(O)C3)nc3cc(F)c(Br)cc3c2[nH]1
InChIInChI=1S/C15H13BrFN3O2/c16-9-4-8-11(5-10(9)17)18-12(6-1-2-7(21)3-6)14-13(8)19-15(22)20-14/h4-7,21H,1-3H2,(H2,19,20,22)/t6-,7?/m0/s1
InChIKeyDLSORMAKZTUPHK-PKPIPKONSA-N
MW366.19 g/mol
LogP2.93
Rot. Bonds1

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

8-bromo-7-fluoro-4-[(1S)-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one (PubChem CID 118498647) has the molecular formula C15H13BrFN3O2 and a molecular weight of 366.19 g/mol. Its IUPAC name is 8-bromo-7-fluoro-4-[(1S)-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-7-fluoro-4-[(1S)-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one
PubChem CID118498647
Molecular FormulaC15H13BrFN3O2
Molecular Weight366.19 g/mol
Exact Mass365.02
IUPAC Name8-bromo-7-fluoro-4-[(1S)-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2c([C@H]3CCC(O)C3)nc3cc(F)c(Br)cc3c2[nH]1
InChIInChI=1S/C15H13BrFN3O2/c16-9-4-8-11(5-10(9)17)18-12(6-1-2-7(21)3-6)14-13(8)19-15(22)20-14/h4-7,21H,1-3H2,(H2,19,20,22)/t6-,7?/m0/s1
InChIKeyDLSORMAKZTUPHK-PKPIPKONSA-N
XLogP2.93
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.19
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-4-[(1S)-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-7-fluoro-4-[(1S)-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one (CID 118498647) is 8-bromo-7-fluoro-4-[(1S)-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-7-fluoro-4-[(1S)-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-7-fluoro-4-[(1S)-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one is O=c1[nH]c2c([C@H]3CCC(O)C3)nc3cc(F)c(Br)cc3c2[nH]1.
What is the InChIKey of 8-bromo-7-fluoro-4-[(1S)-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
The InChIKey is DLSORMAKZTUPHK-PKPIPKONSA-N. The full InChI is InChI=1S/C15H13BrFN3O2/c16-9-4-8-11(5-10(9)17)18-12(6-1-2-7(21)3-6)14-13(8)19-15(22)20-14/h4-7,21H,1-3H2,(H2,19,20,22)/t6-,7?/m0/s1.
What are the key properties of 8-bromo-7-fluoro-4-[(1S)-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
8-bromo-7-fluoro-4-[(1S)-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one has a molecular weight of 366.19 g/mol, XLogP of 2.93, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoro-4-[(1S)-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118498647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).