2,8-dimethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine

C9H12N2O — CID 171622746

IUPAC2,8-dimethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESCc1cncc2c1OC(C)CN2
InChIInChI=1S/C9H12N2O/c1-6-3-10-5-8-9(6)12-7(2)4-11-8/h3,5,7,11H,4H2,1-2H3
InChIKeyXGNQPGLCXLVWPC-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.58
Rot. Bonds

About 2,8-dimethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine

2,8-dimethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine (PubChem CID 171622746) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2,8-dimethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name2,8-dimethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
PubChem CID171622746
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2,8-dimethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESCc1cncc2c1OC(C)CN2
InChIInChI=1S/C9H12N2O/c1-6-3-10-5-8-9(6)12-7(2)4-11-8/h3,5,7,11H,4H2,1-2H3
InChIKeyXGNQPGLCXLVWPC-UHFFFAOYSA-N
XLogP1.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine?
The IUPAC name of 2,8-dimethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine (CID 171622746) is 2,8-dimethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine.
What is the SMILES notation for 2,8-dimethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine?
The canonical SMILES for 2,8-dimethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine is Cc1cncc2c1OC(C)CN2.
What is the InChIKey of 2,8-dimethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine?
The InChIKey is XGNQPGLCXLVWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-3-10-5-8-9(6)12-7(2)4-11-8/h3,5,7,11H,4H2,1-2H3.
What are the key properties of 2,8-dimethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine?
2,8-dimethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine has a molecular weight of 164.21 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine is sourced from PubChem (CID 171622746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).