[3-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]phenyl]methanol

C23H20N4O2 — CID 58547801

IUPAC[3-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]phenyl]methanol
SMILESOCc1cccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C23H20N4O2/c28-15-16-4-3-6-18(12-16)22-23(25-11-10-24-22)29-19-13-27(14-19)21-9-8-17-5-1-2-7-20(17)26-21/h1-12,19,28H,13-15H2
InChIKeyIRRFOIIFAOGAQD-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.45
Rot. Bonds5

About [3-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]phenyl]methanol

[3-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]phenyl]methanol (PubChem CID 58547801) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is [3-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]phenyl]methanol
PubChem CID58547801
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name[3-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]phenyl]methanol
SMILESOCc1cccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C23H20N4O2/c28-15-16-4-3-6-18(12-16)22-23(25-11-10-24-22)29-19-13-27(14-19)21-9-8-17-5-1-2-7-20(17)26-21/h1-12,19,28H,13-15H2
InChIKeyIRRFOIIFAOGAQD-UHFFFAOYSA-N
XLogP3.45
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]phenyl]methanol?
The IUPAC name of [3-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]phenyl]methanol (CID 58547801) is [3-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]phenyl]methanol?
The canonical SMILES for [3-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]phenyl]methanol is OCc1cccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1.
What is the InChIKey of [3-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]phenyl]methanol?
The InChIKey is IRRFOIIFAOGAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-15-16-4-3-6-18(12-16)22-23(25-11-10-24-22)29-19-13-27(14-19)21-9-8-17-5-1-2-7-20(17)26-21/h1-12,19,28H,13-15H2.
What are the key properties of [3-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]phenyl]methanol?
[3-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]phenyl]methanol has a molecular weight of 384.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]phenyl]methanol is sourced from PubChem (CID 58547801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).