2-[1-(4-ethylphenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C18H22N2O2 — CID 129165449

IUPAC2-[1-(4-ethylphenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCCc1ccc(C(C)N2CCn3cc(O)c(=O)cc3C2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-14-4-6-15(7-5-14)13(2)19-8-9-20-12-18(22)17(21)10-16(20)11-19/h4-7,10,12-13,22H,3,8-9,11H2,1-2H3
InChIKeyXHAUEFWXIVWUKS-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.69
Rot. Bonds3

About 2-[1-(4-ethylphenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

2-[1-(4-ethylphenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 129165449) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID129165449
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[1-(4-ethylphenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCCc1ccc(C(C)N2CCn3cc(O)c(=O)cc3C2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-14-4-6-15(7-5-14)13(2)19-8-9-20-12-18(22)17(21)10-16(20)11-19/h4-7,10,12-13,22H,3,8-9,11H2,1-2H3
InChIKeyXHAUEFWXIVWUKS-UHFFFAOYSA-N
XLogP2.69
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 2-[1-(4-ethylphenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 129165449) is 2-[1-(4-ethylphenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-[1-(4-ethylphenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-[1-(4-ethylphenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is CCc1ccc(C(C)N2CCn3cc(O)c(=O)cc3C2)cc1.
What is the InChIKey of 2-[1-(4-ethylphenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is XHAUEFWXIVWUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-14-4-6-15(7-5-14)13(2)19-8-9-20-12-18(22)17(21)10-16(20)11-19/h4-7,10,12-13,22H,3,8-9,11H2,1-2H3.
What are the key properties of 2-[1-(4-ethylphenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
2-[1-(4-ethylphenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 298.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129165449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).