8-bromo-1-[(1S,3R)-3-hydroxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one

C15H14BrN3O2 — CID 129121219

IUPAC8-bromo-1-[(1S,3R)-3-hydroxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3ccc(Br)cc3c2n1[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C15H14BrN3O2/c16-8-1-4-12-11(5-8)14-13(7-17-12)18-15(21)19(14)9-2-3-10(20)6-9/h1,4-5,7,9-10,20H,2-3,6H2,(H,18,21)/t9-,10+/m0/s1
InChIKeyUQZOLZIAYRTKJW-VHSXEESVSA-N
MW348.20 g/mol
LogP2.73
Rot. Bonds1

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

8-bromo-1-[(1S,3R)-3-hydroxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 129121219) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 8-bromo-1-[(1S,3R)-3-hydroxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-[(1S,3R)-3-hydroxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID129121219
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name8-bromo-1-[(1S,3R)-3-hydroxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3ccc(Br)cc3c2n1[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C15H14BrN3O2/c16-8-1-4-12-11(5-8)14-13(7-17-12)18-15(21)19(14)9-2-3-10(20)6-9/h1,4-5,7,9-10,20H,2-3,6H2,(H,18,21)/t9-,10+/m0/s1
InChIKeyUQZOLZIAYRTKJW-VHSXEESVSA-N
XLogP2.73
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-[(1S,3R)-3-hydroxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-[(1S,3R)-3-hydroxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one (CID 129121219) is 8-bromo-1-[(1S,3R)-3-hydroxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-[(1S,3R)-3-hydroxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-[(1S,3R)-3-hydroxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one is O=c1[nH]c2cnc3ccc(Br)cc3c2n1[C@H]1CC[C@@H](O)C1.
What is the InChIKey of 8-bromo-1-[(1S,3R)-3-hydroxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is UQZOLZIAYRTKJW-VHSXEESVSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c16-8-1-4-12-11(5-8)14-13(7-17-12)18-15(21)19(14)9-2-3-10(20)6-9/h1,4-5,7,9-10,20H,2-3,6H2,(H,18,21)/t9-,10+/m0/s1.
What are the key properties of 8-bromo-1-[(1S,3R)-3-hydroxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one?
8-bromo-1-[(1S,3R)-3-hydroxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 348.20 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-[(1S,3R)-3-hydroxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 129121219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).