N-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzamide

C24H21N5O2 — CID 54671051

IUPACN-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzamide
SMILESCNC(=O)c1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C24H21N5O2/c1-25-23(30)18-8-6-17(7-9-18)22-24(27-13-12-26-22)31-19-14-29(15-19)21-11-10-16-4-2-3-5-20(16)28-21/h2-13,19H,14-15H2,1H3,(H,25,30)
InChIKeyCJWNJKXMQMXRHT-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.32
Rot. Bonds5

About N-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzamide

N-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzamide (PubChem CID 54671051) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzamide
PubChem CID54671051
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC NameN-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzamide
SMILESCNC(=O)c1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C24H21N5O2/c1-25-23(30)18-8-6-17(7-9-18)22-24(27-13-12-26-22)31-19-14-29(15-19)21-11-10-16-4-2-3-5-20(16)28-21/h2-13,19H,14-15H2,1H3,(H,25,30)
InChIKeyCJWNJKXMQMXRHT-UHFFFAOYSA-N
XLogP3.32
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzamide?
The IUPAC name of N-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzamide (CID 54671051) is N-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzamide.
What is the SMILES notation for N-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzamide?
The canonical SMILES for N-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzamide is CNC(=O)c1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1.
What is the InChIKey of N-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzamide?
The InChIKey is CJWNJKXMQMXRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-25-23(30)18-8-6-17(7-9-18)22-24(27-13-12-26-22)31-19-14-29(15-19)21-11-10-16-4-2-3-5-20(16)28-21/h2-13,19H,14-15H2,1H3,(H,25,30).
What are the key properties of N-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzamide?
N-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzamide has a molecular weight of 411.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzamide is sourced from PubChem (CID 54671051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).