8-chloro-1-(2-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-one

C16H9ClFN3O — CID 10245085

IUPAC8-chloro-1-(2-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3ccc(Cl)cc3c2n1-c1ccccc1F
InChIInChI=1S/C16H9ClFN3O/c17-9-5-6-12-10(7-9)15-13(8-19-12)20-16(22)21(15)14-4-2-1-3-11(14)18/h1-8H,(H,20,22)
InChIKeyHBRBYVCDBVLLDY-UHFFFAOYSA-N
MW313.72 g/mol
LogP3.66
Rot. Bonds1

About 8-chloro-1-(2-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-one

8-chloro-1-(2-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 10245085) has the molecular formula C16H9ClFN3O and a molecular weight of 313.72 g/mol. Its IUPAC name is 8-chloro-1-(2-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-chloro-1-(2-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID10245085
Molecular FormulaC16H9ClFN3O
Molecular Weight313.72 g/mol
Exact Mass313.04
IUPAC Name8-chloro-1-(2-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3ccc(Cl)cc3c2n1-c1ccccc1F
InChIInChI=1S/C16H9ClFN3O/c17-9-5-6-12-10(7-9)15-13(8-19-12)20-16(22)21(15)14-4-2-1-3-11(14)18/h1-8H,(H,20,22)
InChIKeyHBRBYVCDBVLLDY-UHFFFAOYSA-N
XLogP3.66
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.72
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(2-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-chloro-1-(2-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-one (CID 10245085) is 8-chloro-1-(2-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-chloro-1-(2-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-chloro-1-(2-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-one is O=c1[nH]c2cnc3ccc(Cl)cc3c2n1-c1ccccc1F.
What is the InChIKey of 8-chloro-1-(2-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is HBRBYVCDBVLLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFN3O/c17-9-5-6-12-10(7-9)15-13(8-19-12)20-16(22)21(15)14-4-2-1-3-11(14)18/h1-8H,(H,20,22).
What are the key properties of 8-chloro-1-(2-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-one?
8-chloro-1-(2-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 313.72 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(2-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 10245085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).