4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine

C26H25N5O3S — CID 58547400

IUPAC4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1)N1CCOCC1
InChIInChI=1S/C26H25N5O3S/c32-35(33,31-13-15-34-16-14-31)22-8-5-20(6-9-22)25-26(28-12-11-27-25)21-17-30(18-21)24-10-7-19-3-1-2-4-23(19)29-24/h1-12,21H,13-18H2
InChIKeyFXEJNTQCRJEKKU-UHFFFAOYSA-N
MW487.59 g/mol
LogP3.32
Rot. Bonds5

About 4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine

4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine (PubChem CID 58547400) has the molecular formula C26H25N5O3S and a molecular weight of 487.59 g/mol. Its IUPAC name is 4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine
PubChem CID58547400
Molecular FormulaC26H25N5O3S
Molecular Weight487.59 g/mol
Exact Mass487.17
IUPAC Name4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1)N1CCOCC1
InChIInChI=1S/C26H25N5O3S/c32-35(33,31-13-15-34-16-14-31)22-8-5-20(6-9-22)25-26(28-12-11-27-25)21-17-30(18-21)24-10-7-19-3-1-2-4-23(19)29-24/h1-12,21H,13-18H2
InChIKeyFXEJNTQCRJEKKU-UHFFFAOYSA-N
XLogP3.32
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline
CID 58546915
methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate
CID 58547607
2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile
CID 54675484
2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547501
[2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine
CID 150824984
2-[3-[3-(6,6-dimethyl-2,3-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 54675452
4-(4-quinolin-2-ylpiperazin-1-yl)sulfonylaniline
CID 3696036
2-fluoro-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline;2-[3-(3-piperidin-1-ylpyrazin-2-yl)azetidin-1-yl]quinoline
CID 157217416
2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid
CID 67468043
2-cyclopropyl-1-[3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone
CID 58547295
2-[3-[3-(3-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546852
2,2-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine
CID 58546722

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine (CID 58547400) is 4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine?
The InChIKey is FXEJNTQCRJEKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3S/c32-35(33,31-13-15-34-16-14-31)22-8-5-20(6-9-22)25-26(28-12-11-27-25)21-17-30(18-21)24-10-7-19-3-1-2-4-23(19)29-24/h1-12,21H,13-18H2.
What are the key properties of 4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine?
4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine has a molecular weight of 487.59 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 58547400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).