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

C9H12N2O — CID 145305840

IUPAC8-ethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESCCc1cncc2c1OCCN2
InChIInChI=1S/C9H12N2O/c1-2-7-5-10-6-8-9(7)12-4-3-11-8/h5-6,11H,2-4H2,1H3
InChIKeyQNZHCTZQJFNAAA-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.45
Rot. Bonds1

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

8-ethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine (PubChem CID 145305840) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 8-ethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name8-ethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
PubChem CID145305840
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name8-ethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESCCc1cncc2c1OCCN2
InChIInChI=1S/C9H12N2O/c1-2-7-5-10-6-8-9(7)12-4-3-11-8/h5-6,11H,2-4H2,1H3
InChIKeyQNZHCTZQJFNAAA-UHFFFAOYSA-N
XLogP1.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine?
The IUPAC name of 8-ethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine (CID 145305840) is 8-ethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine.
What is the SMILES notation for 8-ethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine?
The canonical SMILES for 8-ethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine is CCc1cncc2c1OCCN2.
What is the InChIKey of 8-ethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine?
The InChIKey is QNZHCTZQJFNAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-7-5-10-6-8-9(7)12-4-3-11-8/h5-6,11H,2-4H2,1H3.
What are the key properties of 8-ethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine?
8-ethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine has a molecular weight of 164.21 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine is sourced from PubChem (CID 145305840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).