2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide

C23H18FN5O — CID 58547374

IUPAC2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide
SMILESNC(=O)c1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1F
InChIInChI=1S/C23H18FN5O/c24-18-7-5-15(11-17(18)23(25)30)21-22(27-10-9-26-21)16-12-29(13-16)20-8-6-14-3-1-2-4-19(14)28-20/h1-11,16H,12-13H2,(H2,25,30)
InChIKeyNHADAXUUDLCIRH-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.53
Rot. Bonds4

About 2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide

2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide (PubChem CID 58547374) has the molecular formula C23H18FN5O and a molecular weight of 399.43 g/mol. Its IUPAC name is 2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide
PubChem CID58547374
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC Name2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide
SMILESNC(=O)c1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1F
InChIInChI=1S/C23H18FN5O/c24-18-7-5-15(11-17(18)23(25)30)21-22(27-10-9-26-21)16-12-29(13-16)20-8-6-14-3-1-2-4-19(14)28-20/h1-11,16H,12-13H2,(H2,25,30)
InChIKeyNHADAXUUDLCIRH-UHFFFAOYSA-N
XLogP3.53
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide?
The IUPAC name of 2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide (CID 58547374) is 2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide?
The canonical SMILES for 2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide is NC(=O)c1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1F.
What is the InChIKey of 2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide?
The InChIKey is NHADAXUUDLCIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O/c24-18-7-5-15(11-17(18)23(25)30)21-22(27-10-9-26-21)16-12-29(13-16)20-8-6-14-3-1-2-4-19(14)28-20/h1-11,16H,12-13H2,(H2,25,30).
What are the key properties of 2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide?
2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide has a molecular weight of 399.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 58547374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).