2-[(4-ethylphenyl)methyl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine

C18H22N2 — CID 129181665

IUPAC2-[(4-ethylphenyl)methyl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine
SMILESC=C1C=CN2CCN(Cc3ccc(CC)cc3)CC2=C1
InChIInChI=1S/C18H22N2/c1-3-16-4-6-17(7-5-16)13-19-10-11-20-9-8-15(2)12-18(20)14-19/h4-9,12H,2-3,10-11,13-14H2,1H3
InChIKeyOXYSFSAFXLKQPR-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.33
Rot. Bonds3

About 2-[(4-ethylphenyl)methyl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine

2-[(4-ethylphenyl)methyl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine (PubChem CID 129181665) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methyl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methyl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine
PubChem CID129181665
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2-[(4-ethylphenyl)methyl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine
SMILESC=C1C=CN2CCN(Cc3ccc(CC)cc3)CC2=C1
InChIInChI=1S/C18H22N2/c1-3-16-4-6-17(7-5-16)13-19-10-11-20-9-8-15(2)12-18(20)14-19/h4-9,12H,2-3,10-11,13-14H2,1H3
InChIKeyOXYSFSAFXLKQPR-UHFFFAOYSA-N
XLogP3.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methyl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine?
The IUPAC name of 2-[(4-ethylphenyl)methyl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine (CID 129181665) is 2-[(4-ethylphenyl)methyl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-[(4-ethylphenyl)methyl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine?
The canonical SMILES for 2-[(4-ethylphenyl)methyl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine is C=C1C=CN2CCN(Cc3ccc(CC)cc3)CC2=C1.
What is the InChIKey of 2-[(4-ethylphenyl)methyl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine?
The InChIKey is OXYSFSAFXLKQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-16-4-6-17(7-5-16)13-19-10-11-20-9-8-15(2)12-18(20)14-19/h4-9,12H,2-3,10-11,13-14H2,1H3.
What are the key properties of 2-[(4-ethylphenyl)methyl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine?
2-[(4-ethylphenyl)methyl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine has a molecular weight of 266.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methyl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine is sourced from PubChem (CID 129181665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).