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

C16H10BrFN4O — CID 59612966

IUPAC8-bromo-1-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2cccnc2F)c2c3cc(Br)ccc3ncc21
InChIInChI=1S/C16H10BrFN4O/c1-21-13-8-20-11-5-4-9(17)7-10(11)14(13)22(16(21)23)12-3-2-6-19-15(12)18/h2-8H,1H3
InChIKeyFWAKKGFLURAAMB-UHFFFAOYSA-N
MW373.19 g/mol
LogP3.17
Rot. Bonds1

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

8-bromo-1-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59612966) has the molecular formula C16H10BrFN4O and a molecular weight of 373.19 g/mol. Its IUPAC name is 8-bromo-1-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59612966
Molecular FormulaC16H10BrFN4O
Molecular Weight373.19 g/mol
Exact Mass372.00
IUPAC Name8-bromo-1-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2cccnc2F)c2c3cc(Br)ccc3ncc21
InChIInChI=1S/C16H10BrFN4O/c1-21-13-8-20-11-5-4-9(17)7-10(11)14(13)22(16(21)23)12-3-2-6-19-15(12)18/h2-8H,1H3
InChIKeyFWAKKGFLURAAMB-UHFFFAOYSA-N
XLogP3.17
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-bromo-1-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59612966) is 8-bromo-1-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(-c2cccnc2F)c2c3cc(Br)ccc3ncc21.
What is the InChIKey of 8-bromo-1-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is FWAKKGFLURAAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN4O/c1-21-13-8-20-11-5-4-9(17)7-10(11)14(13)22(16(21)23)12-3-2-6-19-15(12)18/h2-8H,1H3.
What are the key properties of 8-bromo-1-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-bromo-1-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 373.19 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59612966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).