8-bromo-1-(6-fluoro-4-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one

C17H12BrFN4O — CID 59612973

IUPAC8-bromo-1-(6-fluoro-4-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1cc(F)ncc1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C17H12BrFN4O/c1-9-5-15(19)21-7-13(9)23-16-11-6-10(18)3-4-12(11)20-8-14(16)22(2)17(23)24/h3-8H,1-2H3
InChIKeyYPPUJMSTBKSEHR-UHFFFAOYSA-N
MW387.21 g/mol
LogP3.48
Rot. Bonds1

About 8-bromo-1-(6-fluoro-4-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one

8-bromo-1-(6-fluoro-4-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59612973) has the molecular formula C17H12BrFN4O and a molecular weight of 387.21 g/mol. Its IUPAC name is 8-bromo-1-(6-fluoro-4-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-(6-fluoro-4-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59612973
Molecular FormulaC17H12BrFN4O
Molecular Weight387.21 g/mol
Exact Mass386.02
IUPAC Name8-bromo-1-(6-fluoro-4-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1cc(F)ncc1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C17H12BrFN4O/c1-9-5-15(19)21-7-13(9)23-16-11-6-10(18)3-4-12(11)20-8-14(16)22(2)17(23)24/h3-8H,1-2H3
InChIKeyYPPUJMSTBKSEHR-UHFFFAOYSA-N
XLogP3.48
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.21
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(6-fluoro-4-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-(6-fluoro-4-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59612973) is 8-bromo-1-(6-fluoro-4-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-(6-fluoro-4-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-(6-fluoro-4-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is Cc1cc(F)ncc1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21.
What is the InChIKey of 8-bromo-1-(6-fluoro-4-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is YPPUJMSTBKSEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN4O/c1-9-5-15(19)21-7-13(9)23-16-11-6-10(18)3-4-12(11)20-8-14(16)22(2)17(23)24/h3-8H,1-2H3.
What are the key properties of 8-bromo-1-(6-fluoro-4-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-bromo-1-(6-fluoro-4-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 387.21 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(6-fluoro-4-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59612973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).