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

C15H14BrN3O2 — CID 118523352

IUPAC8-bromo-1-[(3R)-oxan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3ccc(Br)cc3c2n1[C@@H]1CCCOC1
InChIInChI=1S/C15H14BrN3O2/c16-9-3-4-12-11(6-9)14-13(7-17-12)18-15(20)19(14)10-2-1-5-21-8-10/h3-4,6-7,10H,1-2,5,8H2,(H,18,20)/t10-/m1/s1
InChIKeyGSZZKKQZXCVFPE-SNVBAGLBSA-N
MW348.20 g/mol
LogP2.99
Rot. Bonds1

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

8-bromo-1-[(3R)-oxan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 118523352) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 8-bromo-1-[(3R)-oxan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-[(3R)-oxan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID118523352
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name8-bromo-1-[(3R)-oxan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3ccc(Br)cc3c2n1[C@@H]1CCCOC1
InChIInChI=1S/C15H14BrN3O2/c16-9-3-4-12-11(6-9)14-13(7-17-12)18-15(20)19(14)10-2-1-5-21-8-10/h3-4,6-7,10H,1-2,5,8H2,(H,18,20)/t10-/m1/s1
InChIKeyGSZZKKQZXCVFPE-SNVBAGLBSA-N
XLogP2.99
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-[(3R)-oxan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-[(3R)-oxan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one (CID 118523352) is 8-bromo-1-[(3R)-oxan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-[(3R)-oxan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-[(3R)-oxan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one is O=c1[nH]c2cnc3ccc(Br)cc3c2n1[C@@H]1CCCOC1.
What is the InChIKey of 8-bromo-1-[(3R)-oxan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is GSZZKKQZXCVFPE-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c16-9-3-4-12-11(6-9)14-13(7-17-12)18-15(20)19(14)10-2-1-5-21-8-10/h3-4,6-7,10H,1-2,5,8H2,(H,18,20)/t10-/m1/s1.
What are the key properties of 8-bromo-1-[(3R)-oxan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one?
8-bromo-1-[(3R)-oxan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 348.20 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-[(3R)-oxan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118523352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).