2,5-dimethyl-3-(methylamino)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one

C11H15N3O2 — CID 130340591

IUPAC2,5-dimethyl-3-(methylamino)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one
SMILESCNC1C(=O)N(C)c2ncccc2OC1C
InChIInChI=1S/C11H15N3O2/c1-7-9(12-2)11(15)14(3)10-8(16-7)5-4-6-13-10/h4-7,9,12H,1-3H3
InChIKeyBFDBVTZDMUBRRQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.41
Rot. Bonds1

About 2,5-dimethyl-3-(methylamino)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one

2,5-dimethyl-3-(methylamino)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one (PubChem CID 130340591) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2,5-dimethyl-3-(methylamino)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one.

Molecular Properties

Compound Name2,5-dimethyl-3-(methylamino)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one
PubChem CID130340591
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2,5-dimethyl-3-(methylamino)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one
SMILESCNC1C(=O)N(C)c2ncccc2OC1C
InChIInChI=1S/C11H15N3O2/c1-7-9(12-2)11(15)14(3)10-8(16-7)5-4-6-13-10/h4-7,9,12H,1-3H3
InChIKeyBFDBVTZDMUBRRQ-UHFFFAOYSA-N
XLogP0.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(methylamino)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one?
The IUPAC name of 2,5-dimethyl-3-(methylamino)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one (CID 130340591) is 2,5-dimethyl-3-(methylamino)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one.
What is the SMILES notation for 2,5-dimethyl-3-(methylamino)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one?
The canonical SMILES for 2,5-dimethyl-3-(methylamino)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one is CNC1C(=O)N(C)c2ncccc2OC1C.
What is the InChIKey of 2,5-dimethyl-3-(methylamino)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one?
The InChIKey is BFDBVTZDMUBRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-9(12-2)11(15)14(3)10-8(16-7)5-4-6-13-10/h4-7,9,12H,1-3H3.
What are the key properties of 2,5-dimethyl-3-(methylamino)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one?
2,5-dimethyl-3-(methylamino)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one has a molecular weight of 221.26 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(methylamino)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one is sourced from PubChem (CID 130340591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).