2-[2-(4-ethylpiperazin-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C15H22N4O2 — CID 2766170

IUPAC2-[2-(4-ethylpiperazin-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCN1CCN(CCC2Oc3cccnc3NC2=O)CC1
InChIInChI=1S/C15H22N4O2/c1-2-18-8-10-19(11-9-18)7-5-13-15(20)17-14-12(21-13)4-3-6-16-14/h3-4,6,13H,2,5,7-11H2,1H3,(H,16,17,20)
InChIKeyXIHIIWHPWUWJKQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.81
Rot. Bonds4

About 2-[2-(4-ethylpiperazin-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

2-[2-(4-ethylpiperazin-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 2766170) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[2-(4-ethylpiperazin-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name2-[2-(4-ethylpiperazin-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID2766170
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[2-(4-ethylpiperazin-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCN1CCN(CCC2Oc3cccnc3NC2=O)CC1
InChIInChI=1S/C15H22N4O2/c1-2-18-8-10-19(11-9-18)7-5-13-15(20)17-14-12(21-13)4-3-6-16-14/h3-4,6,13H,2,5,7-11H2,1H3,(H,16,17,20)
InChIKeyXIHIIWHPWUWJKQ-UHFFFAOYSA-N
XLogP0.81
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 2766170) is 2-[2-(4-ethylpiperazin-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 2-[2-(4-ethylpiperazin-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 2-[2-(4-ethylpiperazin-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is CCN1CCN(CCC2Oc3cccnc3NC2=O)CC1.
What is the InChIKey of 2-[2-(4-ethylpiperazin-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is XIHIIWHPWUWJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-18-8-10-19(11-9-18)7-5-13-15(20)17-14-12(21-13)4-3-6-16-14/h3-4,6,13H,2,5,7-11H2,1H3,(H,16,17,20).
What are the key properties of 2-[2-(4-ethylpiperazin-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
2-[2-(4-ethylpiperazin-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 290.37 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylpiperazin-1-yl)ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 2766170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).