4,7-dimethyl-3-methylidenepyrido[3,2-b][1,4]oxazine

C10H12N2O — CID 157066045

IUPAC4,7-dimethyl-3-methylidenepyrido[3,2-b][1,4]oxazine
SMILESC=C1COc2cc(C)cnc2N1C
InChIInChI=1S/C10H12N2O/c1-7-4-9-10(11-5-7)12(3)8(2)6-13-9/h4-5H,2,6H2,1,3H3
InChIKeyXJQKEMZSNSXDNC-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.73
Rot. Bonds

About 4,7-dimethyl-3-methylidenepyrido[3,2-b][1,4]oxazine

4,7-dimethyl-3-methylidenepyrido[3,2-b][1,4]oxazine (PubChem CID 157066045) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4,7-dimethyl-3-methylidenepyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name4,7-dimethyl-3-methylidenepyrido[3,2-b][1,4]oxazine
PubChem CID157066045
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4,7-dimethyl-3-methylidenepyrido[3,2-b][1,4]oxazine
SMILESC=C1COc2cc(C)cnc2N1C
InChIInChI=1S/C10H12N2O/c1-7-4-9-10(11-5-7)12(3)8(2)6-13-9/h4-5H,2,6H2,1,3H3
InChIKeyXJQKEMZSNSXDNC-UHFFFAOYSA-N
XLogP1.73
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-3-methylidenepyrido[3,2-b][1,4]oxazine?
The IUPAC name of 4,7-dimethyl-3-methylidenepyrido[3,2-b][1,4]oxazine (CID 157066045) is 4,7-dimethyl-3-methylidenepyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 4,7-dimethyl-3-methylidenepyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 4,7-dimethyl-3-methylidenepyrido[3,2-b][1,4]oxazine is C=C1COc2cc(C)cnc2N1C.
What is the InChIKey of 4,7-dimethyl-3-methylidenepyrido[3,2-b][1,4]oxazine?
The InChIKey is XJQKEMZSNSXDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-4-9-10(11-5-7)12(3)8(2)6-13-9/h4-5H,2,6H2,1,3H3.
What are the key properties of 4,7-dimethyl-3-methylidenepyrido[3,2-b][1,4]oxazine?
4,7-dimethyl-3-methylidenepyrido[3,2-b][1,4]oxazine has a molecular weight of 176.22 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-3-methylidenepyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 157066045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).