4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline

C24H28N4O2 — CID 58548052

IUPAC4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
SMILESCc1cc(N2CCC(Oc3nccnc3C3CCOCC3)CC2)nc2ccccc12
InChIInChI=1S/C24H28N4O2/c1-17-16-22(27-21-5-3-2-4-20(17)21)28-12-6-19(7-13-28)30-24-23(25-10-11-26-24)18-8-14-29-15-9-18/h2-5,10-11,16,18-19H,6-9,12-15H2,1H3
InChIKeyJLYSBBRWLSGIEL-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.28
Rot. Bonds4

About 4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline

4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline (PubChem CID 58548052) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline.

Molecular Properties

Compound Name4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
PubChem CID58548052
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
SMILESCc1cc(N2CCC(Oc3nccnc3C3CCOCC3)CC2)nc2ccccc12
InChIInChI=1S/C24H28N4O2/c1-17-16-22(27-21-5-3-2-4-20(17)21)28-12-6-19(7-13-28)30-24-23(25-10-11-26-24)18-8-14-29-15-9-18/h2-5,10-11,16,18-19H,6-9,12-15H2,1H3
InChIKeyJLYSBBRWLSGIEL-UHFFFAOYSA-N
XLogP4.28
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 58547814
CID 58547814
CID 58547833
CID 58547833
CID 58547807
CID 58547807
CID 44203853
CID 44203853
CID 44205166
CID 44205166
CID 54670110
CID 54670110
CID 54670394
CID 54670394
CID 54670488
CID 54670488
CID 54670489
CID 54670489
CID 54671050
CID 54671050
CID 58547692
CID 58547692
CID 58547740
CID 58547740

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline?
The IUPAC name of 4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline (CID 58548052) is 4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline.
What is the SMILES notation for 4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline?
The canonical SMILES for 4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline is Cc1cc(N2CCC(Oc3nccnc3C3CCOCC3)CC2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline?
The InChIKey is JLYSBBRWLSGIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-16-22(27-21-5-3-2-4-20(17)21)28-12-6-19(7-13-28)30-24-23(25-10-11-26-24)18-8-14-29-15-9-18/h2-5,10-11,16,18-19H,6-9,12-15H2,1H3.
What are the key properties of 4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline?
4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline has a molecular weight of 404.51 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline is sourced from PubChem (CID 58548052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).