(2S)-4-[2-[2-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]-2-methylmorpholine

C22H24FN3O3 — CID 141446527

IUPAC(2S)-4-[2-[2-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]-2-methylmorpholine
SMILESCOc1cc2nc(-c3cccc(F)c3)cnc2cc1OCCN1CCO[C@@H](C)C1
InChIInChI=1S/C22H24FN3O3/c1-15-14-26(6-8-28-15)7-9-29-22-11-18-19(12-21(22)27-2)25-20(13-24-18)16-4-3-5-17(23)10-16/h3-5,10-13,15H,6-9,14H2,1-2H3/t15-/m0/s1
InChIKeyDXLBNABHIDCBCF-HNNXBMFYSA-N
MW397.45 g/mol
LogP3.54
Rot. Bonds6

About (2S)-4-[2-[2-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]-2-methylmorpholine

(2S)-4-[2-[2-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]-2-methylmorpholine (PubChem CID 141446527) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is (2S)-4-[2-[2-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]-2-methylmorpholine.

Molecular Properties

Compound Name(2S)-4-[2-[2-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]-2-methylmorpholine
PubChem CID141446527
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name(2S)-4-[2-[2-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]-2-methylmorpholine
SMILESCOc1cc2nc(-c3cccc(F)c3)cnc2cc1OCCN1CCO[C@@H](C)C1
InChIInChI=1S/C22H24FN3O3/c1-15-14-26(6-8-28-15)7-9-29-22-11-18-19(12-21(22)27-2)25-20(13-24-18)16-4-3-5-17(23)10-16/h3-5,10-13,15H,6-9,14H2,1-2H3/t15-/m0/s1
InChIKeyDXLBNABHIDCBCF-HNNXBMFYSA-N
XLogP3.54
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-[2-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]-2-methylmorpholine?
The IUPAC name of (2S)-4-[2-[2-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]-2-methylmorpholine (CID 141446527) is (2S)-4-[2-[2-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]-2-methylmorpholine.
What is the SMILES notation for (2S)-4-[2-[2-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]-2-methylmorpholine?
The canonical SMILES for (2S)-4-[2-[2-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]-2-methylmorpholine is COc1cc2nc(-c3cccc(F)c3)cnc2cc1OCCN1CCO[C@@H](C)C1.
What is the InChIKey of (2S)-4-[2-[2-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]-2-methylmorpholine?
The InChIKey is DXLBNABHIDCBCF-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-15-14-26(6-8-28-15)7-9-29-22-11-18-19(12-21(22)27-2)25-20(13-24-18)16-4-3-5-17(23)10-16/h3-5,10-13,15H,6-9,14H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-4-[2-[2-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]-2-methylmorpholine?
(2S)-4-[2-[2-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]-2-methylmorpholine has a molecular weight of 397.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-[2-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]-2-methylmorpholine is sourced from PubChem (CID 141446527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).