2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine

C25H24N4O2 — CID 127251047

IUPAC2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine
SMILESCOc1ccc(-c2cncc(C3CN(Cc4cccc5ncccc45)CCO3)n2)cc1
InChIInChI=1S/C25H24N4O2/c1-30-20-9-7-18(8-10-20)23-14-26-15-24(28-23)25-17-29(12-13-31-25)16-19-4-2-6-22-21(19)5-3-11-27-22/h2-11,14-15,25H,12-13,16-17H2,1H3
InChIKeyJHCPWAVZJNFOQE-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.27
Rot. Bonds5

About 2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine

2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine (PubChem CID 127251047) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine.

Molecular Properties

Compound Name2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine
PubChem CID127251047
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine
SMILESCOc1ccc(-c2cncc(C3CN(Cc4cccc5ncccc45)CCO3)n2)cc1
InChIInChI=1S/C25H24N4O2/c1-30-20-9-7-18(8-10-20)23-14-26-15-24(28-23)25-17-29(12-13-31-25)16-19-4-2-6-22-21(19)5-3-11-27-22/h2-11,14-15,25H,12-13,16-17H2,1H3
InChIKeyJHCPWAVZJNFOQE-UHFFFAOYSA-N
XLogP4.27
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine?
The IUPAC name of 2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine (CID 127251047) is 2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine.
What is the SMILES notation for 2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine?
The canonical SMILES for 2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine is COc1ccc(-c2cncc(C3CN(Cc4cccc5ncccc45)CCO3)n2)cc1.
What is the InChIKey of 2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine?
The InChIKey is JHCPWAVZJNFOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-30-20-9-7-18(8-10-20)23-14-26-15-24(28-23)25-17-29(12-13-31-25)16-19-4-2-6-22-21(19)5-3-11-27-22/h2-11,14-15,25H,12-13,16-17H2,1H3.
What are the key properties of 2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine?
2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine has a molecular weight of 412.49 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine is sourced from PubChem (CID 127251047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).