1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine

C13H20N2O — CID 170669244

IUPAC1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine
SMILESCC(C)c1cncc2c1N(C(C)C)CCO2
InChIInChI=1S/C13H20N2O/c1-9(2)11-7-14-8-12-13(11)15(10(3)4)5-6-16-12/h7-10H,5-6H2,1-4H3
InChIKeyWCYLZNYFUVCMBF-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.81
Rot. Bonds2

About 1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine

1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine (PubChem CID 170669244) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine
PubChem CID170669244
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine
SMILESCC(C)c1cncc2c1N(C(C)C)CCO2
InChIInChI=1S/C13H20N2O/c1-9(2)11-7-14-8-12-13(11)15(10(3)4)5-6-16-12/h7-10H,5-6H2,1-4H3
InChIKeyWCYLZNYFUVCMBF-UHFFFAOYSA-N
XLogP2.81
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-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 1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The IUPAC name of 1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine (CID 170669244) is 1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine.
What is the SMILES notation for 1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The canonical SMILES for 1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine is CC(C)c1cncc2c1N(C(C)C)CCO2.
What is the InChIKey of 1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The InChIKey is WCYLZNYFUVCMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)11-7-14-8-12-13(11)15(10(3)4)5-6-16-12/h7-10H,5-6H2,1-4H3.
What are the key properties of 1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine?
1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine has a molecular weight of 220.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine is sourced from PubChem (CID 170669244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).