2-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline

C24H23N5O2 — CID 58548138

IUPAC2-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
SMILESCOc1ncccc1-c1nccnc1OC1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C24H23N5O2/c1-30-23-19(6-4-12-26-23)22-24(27-14-13-25-22)31-18-10-15-29(16-11-18)21-9-8-17-5-2-3-7-20(17)28-21/h2-9,12-14,18H,10-11,15-16H2,1H3
InChIKeyAMXSMCMJWXRVRI-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.14
Rot. Bonds5

About 2-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline

2-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline (PubChem CID 58548138) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
PubChem CID58548138
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
SMILESCOc1ncccc1-c1nccnc1OC1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C24H23N5O2/c1-30-23-19(6-4-12-26-23)22-24(27-14-13-25-22)31-18-10-15-29(16-11-18)21-9-8-17-5-2-3-7-20(17)28-21/h2-9,12-14,18H,10-11,15-16H2,1H3
InChIKeyAMXSMCMJWXRVRI-UHFFFAOYSA-N
XLogP4.14
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline?
The IUPAC name of 2-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline (CID 58548138) is 2-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline.
What is the SMILES notation for 2-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline?
The canonical SMILES for 2-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline is COc1ncccc1-c1nccnc1OC1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 2-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline?
The InChIKey is AMXSMCMJWXRVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-30-23-19(6-4-12-26-23)22-24(27-14-13-25-22)31-18-10-15-29(16-11-18)21-9-8-17-5-2-3-7-20(17)28-21/h2-9,12-14,18H,10-11,15-16H2,1H3.
What are the key properties of 2-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline?
2-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline has a molecular weight of 413.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline is sourced from PubChem (CID 58548138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).