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

C15H13BrFN3O2 — CID 118498621

IUPAC8-bromo-7-[(1S,3S)-1-fluoro-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3cc([C@]4(F)CC[C@H](O)C4)c(Br)cc3c2[nH]1
InChIInChI=1S/C15H13BrFN3O2/c16-10-3-8-11(18-6-12-13(8)20-14(22)19-12)4-9(10)15(17)2-1-7(21)5-15/h3-4,6-7,21H,1-2,5H2,(H2,19,20,22)/t7-,15-/m0/s1
InChIKeyDPLFYYFLWWUPFE-ZIDLFYJRSA-N
MW366.19 g/mol
LogP2.88
Rot. Bonds1

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

8-bromo-7-[(1S,3S)-1-fluoro-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one (PubChem CID 118498621) has the molecular formula C15H13BrFN3O2 and a molecular weight of 366.19 g/mol. Its IUPAC name is 8-bromo-7-[(1S,3S)-1-fluoro-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-7-[(1S,3S)-1-fluoro-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one
PubChem CID118498621
Molecular FormulaC15H13BrFN3O2
Molecular Weight366.19 g/mol
Exact Mass365.02
IUPAC Name8-bromo-7-[(1S,3S)-1-fluoro-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3cc([C@]4(F)CC[C@H](O)C4)c(Br)cc3c2[nH]1
InChIInChI=1S/C15H13BrFN3O2/c16-10-3-8-11(18-6-12-13(8)20-14(22)19-12)4-9(10)15(17)2-1-7(21)5-15/h3-4,6-7,21H,1-2,5H2,(H2,19,20,22)/t7-,15-/m0/s1
InChIKeyDPLFYYFLWWUPFE-ZIDLFYJRSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

8-bromo-7-[(1S,3S)-1-fluoro-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one
CID 118498637
8-bromo-7-fluoro-4-[(1S)-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one
CID 118498647
8-Bromo-7-(2-fluoro-4-methyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one
CID 118498648
8-bromo-7-[(3R)-2-fluoro-3-methyloxan-3-yl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one
CID 118498679
8-Bromo-7-(2-fluoro-3,4-dimethyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one
CID 118498824
8-bromo-7-fluoro-3-(3-methoxycyclopentyl)-3-methyl-1H-imidazo[4,5-c]quinolin-3-ium-2-one
CID 118498890
8-bromo-7-fluoro-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one
CID 118501909
8-bromo-7-fluoro-1-[(1S,3R)-3-hydroxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118502976
8-bromo-7-fluoro-1-[(1R,3R)-3-methoxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118523370
8-bromo-7-fluoro-1-[(1R,3S)-3-hydroxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118523380
8-bromo-7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118523399
8-bromo-7-fluoro-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
CID 118523412

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-[(1S,3S)-1-fluoro-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-7-[(1S,3S)-1-fluoro-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one (CID 118498621) is 8-bromo-7-[(1S,3S)-1-fluoro-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-7-[(1S,3S)-1-fluoro-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-7-[(1S,3S)-1-fluoro-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one is O=c1[nH]c2cnc3cc([C@]4(F)CC[C@H](O)C4)c(Br)cc3c2[nH]1.
What is the InChIKey of 8-bromo-7-[(1S,3S)-1-fluoro-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
The InChIKey is DPLFYYFLWWUPFE-ZIDLFYJRSA-N. The full InChI is InChI=1S/C15H13BrFN3O2/c16-10-3-8-11(18-6-12-13(8)20-14(22)19-12)4-9(10)15(17)2-1-7(21)5-15/h3-4,6-7,21H,1-2,5H2,(H2,19,20,22)/t7-,15-/m0/s1.
What are the key properties of 8-bromo-7-[(1S,3S)-1-fluoro-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
8-bromo-7-[(1S,3S)-1-fluoro-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one has a molecular weight of 366.19 g/mol, XLogP of 2.88, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-[(1S,3S)-1-fluoro-3-hydroxycyclopentyl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118498621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).