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

C23H25N5O2 — CID 54670110

IUPAC1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C23H25N5O2/c1-16(29)27-12-8-18(9-13-27)22-23(25-11-10-24-22)30-19-14-28(15-19)21-7-6-17-4-2-3-5-20(17)26-21/h2-7,10-11,18-19H,8-9,12-15H2,1H3
InChIKeyQHXMZSJCPZCMCR-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.02
Rot. Bonds4

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

1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 54670110) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID54670110
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C23H25N5O2/c1-16(29)27-12-8-18(9-13-27)22-23(25-11-10-24-22)30-19-14-28(15-19)21-7-6-17-4-2-3-5-20(17)26-21/h2-7,10-11,18-19H,8-9,12-15H2,1H3
InChIKeyQHXMZSJCPZCMCR-UHFFFAOYSA-N
XLogP3.02
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone (CID 54670110) is 1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of 1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is QHXMZSJCPZCMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-16(29)27-12-8-18(9-13-27)22-23(25-11-10-24-22)30-19-14-28(15-19)21-7-6-17-4-2-3-5-20(17)26-21/h2-7,10-11,18-19H,8-9,12-15H2,1H3.
What are the key properties of 1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone?
1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 403.49 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 54670110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).