2-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]propan-2-ol

C24H29N5O2 — CID 58548141

IUPAC2-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C24H29N5O2/c1-24(2,30)18-9-13-28(14-10-18)22-23(26-12-11-25-22)31-19-15-29(16-19)21-8-7-17-5-3-4-6-20(17)27-21/h3-8,11-12,18-19,30H,9-10,13-16H2,1-2H3
InChIKeySQRIHBAFZBKPGS-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.28
Rot. Bonds5

About 2-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]propan-2-ol

2-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]propan-2-ol (PubChem CID 58548141) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]propan-2-ol
PubChem CID58548141
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C24H29N5O2/c1-24(2,30)18-9-13-28(14-10-18)22-23(26-12-11-25-22)31-19-15-29(16-19)21-8-7-17-5-3-4-6-20(17)27-21/h3-8,11-12,18-19,30H,9-10,13-16H2,1-2H3
InChIKeySQRIHBAFZBKPGS-UHFFFAOYSA-N
XLogP3.28
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]propan-2-ol with MolForge

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Related Compounds

1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide
CID 58547692
1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-one
CID 58547710
2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperazin-1-yl]ethanol
CID 58547862
1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]pyrrolidin-3-one
CID 58547889
methyl 1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidine-4-carboxylate
CID 58547953
1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone
CID 54670110
2-[4-(3-chloropyrazin-2-yl)oxypiperidin-1-yl]quinoline;piperidin-4-ol;1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-ol
CID 161234552
2-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]quinoline
CID 58547880
2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 58547950
2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline
CID 171702682
2-[(3S)-3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
CID 58547975
2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547331

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]propan-2-ol (CID 58548141) is 2-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]propan-2-ol is CC(C)(O)C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of 2-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]propan-2-ol?
The InChIKey is SQRIHBAFZBKPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-24(2,30)18-9-13-28(14-10-18)22-23(26-12-11-25-22)31-19-15-29(16-19)21-8-7-17-5-3-4-6-20(17)27-21/h3-8,11-12,18-19,30H,9-10,13-16H2,1-2H3.
What are the key properties of 2-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]propan-2-ol?
2-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]propan-2-ol has a molecular weight of 419.53 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 58548141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).