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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[1-(4-methylquinolin-2-yl)piperidin-4-yl]morpholine-4-carboxamide
CID 172892839
1-[3-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
CID 58547222
2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
CID 58547869
4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline
CID 171998224
4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline
CID 126946631
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632
4-methyl-2-piperazin-1-ylquinoline
CID 598754
1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479378
1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone
CID 54670110
4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide
CID 71858345
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108777261
(2S,6S)-2,6-dimethyl-4-(4-methylquinolin-2-yl)morpholine
CID 705234

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).