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

C23H17N5O — CID 58548005

IUPAC4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C23H17N5O/c24-13-16-5-7-18(8-6-16)22-23(26-12-11-25-22)29-19-14-28(15-19)21-10-9-17-3-1-2-4-20(17)27-21/h1-12,19H,14-15H2
InChIKeyJYPQBQXJDLDDBI-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.83
Rot. Bonds4

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

4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzonitrile (PubChem CID 58548005) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzonitrile
PubChem CID58548005
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C23H17N5O/c24-13-16-5-7-18(8-6-16)22-23(26-12-11-25-22)29-19-14-28(15-19)21-10-9-17-3-1-2-4-20(17)27-21/h1-12,19H,14-15H2
InChIKeyJYPQBQXJDLDDBI-UHFFFAOYSA-N
XLogP3.83
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzonitrile?
The IUPAC name of 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzonitrile (CID 58548005) is 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzonitrile.
What is the SMILES notation for 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzonitrile?
The canonical SMILES for 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzonitrile is N#Cc1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1.
What is the InChIKey of 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzonitrile?
The InChIKey is JYPQBQXJDLDDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c24-13-16-5-7-18(8-6-16)22-23(26-12-11-25-22)29-19-14-28(15-19)21-10-9-17-3-1-2-4-20(17)27-21/h1-12,19H,14-15H2.
What are the key properties of 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzonitrile?
4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzonitrile has a molecular weight of 379.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzonitrile is sourced from PubChem (CID 58548005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).