4-[[4-(8-bromoquinoxalin-2-yl)-2-methylphenyl]methyl]morpholine

C20H20BrN3O — CID 67539895

IUPAC4-[[4-(8-bromoquinoxalin-2-yl)-2-methylphenyl]methyl]morpholine
SMILESCc1cc(-c2cnc3cccc(Br)c3n2)ccc1CN1CCOCC1
InChIInChI=1S/C20H20BrN3O/c1-14-11-15(5-6-16(14)13-24-7-9-25-10-8-24)19-12-22-18-4-2-3-17(21)20(18)23-19/h2-6,11-12H,7-10,13H2,1H3
InChIKeyPXFXKXUSNBOGEA-UHFFFAOYSA-N
MW398.30 g/mol
LogP4.20
Rot. Bonds3

About 4-[[4-(8-bromoquinoxalin-2-yl)-2-methylphenyl]methyl]morpholine

4-[[4-(8-bromoquinoxalin-2-yl)-2-methylphenyl]methyl]morpholine (PubChem CID 67539895) has the molecular formula C20H20BrN3O and a molecular weight of 398.30 g/mol. Its IUPAC name is 4-[[4-(8-bromoquinoxalin-2-yl)-2-methylphenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(8-bromoquinoxalin-2-yl)-2-methylphenyl]methyl]morpholine
PubChem CID67539895
Molecular FormulaC20H20BrN3O
Molecular Weight398.30 g/mol
Exact Mass397.08
IUPAC Name4-[[4-(8-bromoquinoxalin-2-yl)-2-methylphenyl]methyl]morpholine
SMILESCc1cc(-c2cnc3cccc(Br)c3n2)ccc1CN1CCOCC1
InChIInChI=1S/C20H20BrN3O/c1-14-11-15(5-6-16(14)13-24-7-9-25-10-8-24)19-12-22-18-4-2-3-17(21)20(18)23-19/h2-6,11-12H,7-10,13H2,1H3
InChIKeyPXFXKXUSNBOGEA-UHFFFAOYSA-N
XLogP4.20
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(8-bromoquinoxalin-2-yl)-2-methylphenyl]methyl]morpholine?
The IUPAC name of 4-[[4-(8-bromoquinoxalin-2-yl)-2-methylphenyl]methyl]morpholine (CID 67539895) is 4-[[4-(8-bromoquinoxalin-2-yl)-2-methylphenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(8-bromoquinoxalin-2-yl)-2-methylphenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-(8-bromoquinoxalin-2-yl)-2-methylphenyl]methyl]morpholine is Cc1cc(-c2cnc3cccc(Br)c3n2)ccc1CN1CCOCC1.
What is the InChIKey of 4-[[4-(8-bromoquinoxalin-2-yl)-2-methylphenyl]methyl]morpholine?
The InChIKey is PXFXKXUSNBOGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O/c1-14-11-15(5-6-16(14)13-24-7-9-25-10-8-24)19-12-22-18-4-2-3-17(21)20(18)23-19/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of 4-[[4-(8-bromoquinoxalin-2-yl)-2-methylphenyl]methyl]morpholine?
4-[[4-(8-bromoquinoxalin-2-yl)-2-methylphenyl]methyl]morpholine has a molecular weight of 398.30 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(8-bromoquinoxalin-2-yl)-2-methylphenyl]methyl]morpholine is sourced from PubChem (CID 67539895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).