3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide

C23H19N5O — CID 58547265

IUPAC3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C23H19N5O/c24-23(29)17-6-3-5-16(12-17)21-22(26-11-10-25-21)18-13-28(14-18)20-9-8-15-4-1-2-7-19(15)27-20/h1-12,18H,13-14H2,(H2,24,29)
InChIKeyCLFRGPRYKZCNHI-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.39
Rot. Bonds4

About 3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide

3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide (PubChem CID 58547265) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide
PubChem CID58547265
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C23H19N5O/c24-23(29)17-6-3-5-16(12-17)21-22(26-11-10-25-21)18-13-28(14-18)20-9-8-15-4-1-2-7-19(15)27-20/h1-12,18H,13-14H2,(H2,24,29)
InChIKeyCLFRGPRYKZCNHI-UHFFFAOYSA-N
XLogP3.39
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide?
The IUPAC name of 3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide (CID 58547265) is 3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide.
What is the SMILES notation for 3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide?
The canonical SMILES for 3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide is NC(=O)c1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1.
What is the InChIKey of 3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide?
The InChIKey is CLFRGPRYKZCNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c24-23(29)17-6-3-5-16(12-17)21-22(26-11-10-25-21)18-13-28(14-18)20-9-8-15-4-1-2-7-19(15)27-20/h1-12,18H,13-14H2,(H2,24,29).
What are the key properties of 3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide?
3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide has a molecular weight of 381.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 58547265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).