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

C20H16ClFN2O2 — CID 162441474

IUPAC6-(5-chloro-2-fluorophenyl)-8-(4-methoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCOc1ccc(-c2cc(-c3cc(Cl)ccc3F)nc3c2OCCN3)cc1
InChIInChI=1S/C20H16ClFN2O2/c1-25-14-5-2-12(3-6-14)15-11-18(16-10-13(21)4-7-17(16)22)24-20-19(15)26-9-8-23-20/h2-7,10-11H,8-9H2,1H3,(H,23,24)
InChIKeyKQAAZNWCHDEURZ-UHFFFAOYSA-N
MW370.81 g/mol
LogP5.02
Rot. Bonds3

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

6-(5-chloro-2-fluorophenyl)-8-(4-methoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 162441474) has the molecular formula C20H16ClFN2O2 and a molecular weight of 370.81 g/mol. Its IUPAC name is 6-(5-chloro-2-fluorophenyl)-8-(4-methoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name6-(5-chloro-2-fluorophenyl)-8-(4-methoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID162441474
Molecular FormulaC20H16ClFN2O2
Molecular Weight370.81 g/mol
Exact Mass370.09
IUPAC Name6-(5-chloro-2-fluorophenyl)-8-(4-methoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCOc1ccc(-c2cc(-c3cc(Cl)ccc3F)nc3c2OCCN3)cc1
InChIInChI=1S/C20H16ClFN2O2/c1-25-14-5-2-12(3-6-14)15-11-18(16-10-13(21)4-7-17(16)22)24-20-19(15)26-9-8-23-20/h2-7,10-11H,8-9H2,1H3,(H,23,24)
InChIKeyKQAAZNWCHDEURZ-UHFFFAOYSA-N
XLogP5.02
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.81
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(5-chloro-2-fluorophenyl)-8-(4-methoxyphenyl)-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-(4-methoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 6-(5-chloro-2-fluorophenyl)-8-(4-methoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 162441474) is 6-(5-chloro-2-fluorophenyl)-8-(4-methoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 6-(5-chloro-2-fluorophenyl)-8-(4-methoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 6-(5-chloro-2-fluorophenyl)-8-(4-methoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is COc1ccc(-c2cc(-c3cc(Cl)ccc3F)nc3c2OCCN3)cc1.
What is the InChIKey of 6-(5-chloro-2-fluorophenyl)-8-(4-methoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is KQAAZNWCHDEURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O2/c1-25-14-5-2-12(3-6-14)15-11-18(16-10-13(21)4-7-17(16)22)24-20-19(15)26-9-8-23-20/h2-7,10-11H,8-9H2,1H3,(H,23,24).
What are the key properties of 6-(5-chloro-2-fluorophenyl)-8-(4-methoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
6-(5-chloro-2-fluorophenyl)-8-(4-methoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 370.81 g/mol, XLogP of 5.02, 3 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-(4-methoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 162441474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).