6-(5-chloro-2-fluorophenyl)-8-isoquinolin-4-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C22H15ClFN3O — CID 164546199

IUPAC6-(5-chloro-2-fluorophenyl)-8-isoquinolin-4-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc3ccccc23)c2c(n1)NCCO2
InChIInChI=1S/C22H15ClFN3O/c23-14-5-6-19(24)17(9-14)20-10-16(21-22(27-20)26-7-8-28-21)18-12-25-11-13-3-1-2-4-15(13)18/h1-6,9-12H,7-8H2,(H,26,27)
InChIKeyJYWFQFRCWXMHOP-UHFFFAOYSA-N
MW391.83 g/mol
LogP5.56
Rot. Bonds2

About 6-(5-chloro-2-fluorophenyl)-8-isoquinolin-4-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

6-(5-chloro-2-fluorophenyl)-8-isoquinolin-4-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 164546199) has the molecular formula C22H15ClFN3O and a molecular weight of 391.83 g/mol. Its IUPAC name is 6-(5-chloro-2-fluorophenyl)-8-isoquinolin-4-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name6-(5-chloro-2-fluorophenyl)-8-isoquinolin-4-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID164546199
Molecular FormulaC22H15ClFN3O
Molecular Weight391.83 g/mol
Exact Mass391.09
IUPAC Name6-(5-chloro-2-fluorophenyl)-8-isoquinolin-4-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc3ccccc23)c2c(n1)NCCO2
InChIInChI=1S/C22H15ClFN3O/c23-14-5-6-19(24)17(9-14)20-10-16(21-22(27-20)26-7-8-28-21)18-12-25-11-13-3-1-2-4-15(13)18/h1-6,9-12H,7-8H2,(H,26,27)
InChIKeyJYWFQFRCWXMHOP-UHFFFAOYSA-N
XLogP5.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.83
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(5-chloro-2-fluorophenyl)-8-isoquinolin-4-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine 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 6-(5-chloro-2-fluorophenyl)-8-isoquinolin-4-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 6-(5-chloro-2-fluorophenyl)-8-isoquinolin-4-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 164546199) is 6-(5-chloro-2-fluorophenyl)-8-isoquinolin-4-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 6-(5-chloro-2-fluorophenyl)-8-isoquinolin-4-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 6-(5-chloro-2-fluorophenyl)-8-isoquinolin-4-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is Fc1ccc(Cl)cc1-c1cc(-c2cncc3ccccc23)c2c(n1)NCCO2.
What is the InChIKey of 6-(5-chloro-2-fluorophenyl)-8-isoquinolin-4-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is JYWFQFRCWXMHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O/c23-14-5-6-19(24)17(9-14)20-10-16(21-22(27-20)26-7-8-28-21)18-12-25-11-13-3-1-2-4-15(13)18/h1-6,9-12H,7-8H2,(H,26,27).
What are the key properties of 6-(5-chloro-2-fluorophenyl)-8-isoquinolin-4-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
6-(5-chloro-2-fluorophenyl)-8-isoquinolin-4-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 391.83 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-fluorophenyl)-8-isoquinolin-4-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 164546199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).