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

C24H20N4O3 — CID 58547879

IUPACmethyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C24H20N4O3/c1-30-24(29)18-8-6-17(7-9-18)22-23(26-13-12-25-22)31-19-14-28(15-19)21-11-10-16-4-2-3-5-20(16)27-21/h2-13,19H,14-15H2,1H3
InChIKeyPLRDEWCZBWZINK-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.75
Rot. Bonds5

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

methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzoate (PubChem CID 58547879) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzoate
PubChem CID58547879
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Namemethyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C24H20N4O3/c1-30-24(29)18-8-6-17(7-9-18)22-23(26-13-12-25-22)31-19-14-28(15-19)21-11-10-16-4-2-3-5-20(16)27-21/h2-13,19H,14-15H2,1H3
InChIKeyPLRDEWCZBWZINK-UHFFFAOYSA-N
XLogP3.75
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzoate with MolForge

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Related Compounds

N-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzamide
CID 54671051
[3-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]phenyl]methanol
CID 58547801
[4-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]phenyl]methanol
CID 58547942
2-[3-[3-(4-Methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 58548001
4-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzonitrile
CID 58548005
2-[3-(3-Phenylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 58548080
2-[3-(3-Quinolin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 58548113
Methyl 3-(3-(1-(quinolin-2-yl)azetidin-3-yl)pyrazin-2-yl)benzoate
CID 58547203
Ethyl 8-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate
CID 15998972
2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 54670397
2-[3-[3-(2-Methoxyphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 54670860
Ethyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate
CID 54675455

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzoate?
The IUPAC name of methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzoate (CID 58547879) is methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzoate.
What is the SMILES notation for methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzoate?
The canonical SMILES for methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzoate is COC(=O)c1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1.
What is the InChIKey of methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzoate?
The InChIKey is PLRDEWCZBWZINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-30-24(29)18-8-6-17(7-9-18)22-23(26-13-12-25-22)31-19-14-28(15-19)21-11-10-16-4-2-3-5-20(16)27-21/h2-13,19H,14-15H2,1H3.
What are the key properties of methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzoate?
methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzoate has a molecular weight of 412.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzoate is sourced from PubChem (CID 58547879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).