4-[[2-fluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine

C29H30FN3O4 — CID 59392778

IUPAC4-[[2-fluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine
SMILESCOCCOc1ccc(-c2cnc3cccc(-c4ccc(CN5CCOCC5)c(F)c4)c3n2)cc1OC
InChIInChI=1S/C29H30FN3O4/c1-34-14-15-37-27-9-8-21(17-28(27)35-2)26-18-31-25-5-3-4-23(29(25)32-26)20-6-7-22(24(30)16-20)19-33-10-12-36-13-11-33/h3-9,16-18H,10-15,19H2,1-2H3
InChIKeyFQVAIJLOOLJDNN-UHFFFAOYSA-N
MW503.57 g/mol
LogP4.97
Rot. Bonds9

About 4-[[2-fluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine

4-[[2-fluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine (PubChem CID 59392778) has the molecular formula C29H30FN3O4 and a molecular weight of 503.57 g/mol. Its IUPAC name is 4-[[2-fluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-fluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine
PubChem CID59392778
Molecular FormulaC29H30FN3O4
Molecular Weight503.57 g/mol
Exact Mass503.22
IUPAC Name4-[[2-fluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine
SMILESCOCCOc1ccc(-c2cnc3cccc(-c4ccc(CN5CCOCC5)c(F)c4)c3n2)cc1OC
InChIInChI=1S/C29H30FN3O4/c1-34-14-15-37-27-9-8-21(17-28(27)35-2)26-18-31-25-5-3-4-23(29(25)32-26)20-6-7-22(24(30)16-20)19-33-10-12-36-13-11-33/h3-9,16-18H,10-15,19H2,1-2H3
InChIKeyFQVAIJLOOLJDNN-UHFFFAOYSA-N
XLogP4.97
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.57
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[2-fluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine (CID 59392778) is 4-[[2-fluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[2-fluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[2-fluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine is COCCOc1ccc(-c2cnc3cccc(-c4ccc(CN5CCOCC5)c(F)c4)c3n2)cc1OC.
What is the InChIKey of 4-[[2-fluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine?
The InChIKey is FQVAIJLOOLJDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O4/c1-34-14-15-37-27-9-8-21(17-28(27)35-2)26-18-31-25-5-3-4-23(29(25)32-26)20-6-7-22(24(30)16-20)19-33-10-12-36-13-11-33/h3-9,16-18H,10-15,19H2,1-2H3.
What are the key properties of 4-[[2-fluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine?
4-[[2-fluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine has a molecular weight of 503.57 g/mol, XLogP of 4.97, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 59392778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).