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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Related Compounds

[2-methyl-4-[8-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]phenyl]-morpholin-4-ylmethanone
CID 46885234
4-[8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-N,N,2-trimethylbenzamide
CID 59392667
[2-methyl-4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59392747
4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine
CID 139210695
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
4-[(3-bromo-2-fluorophenyl)methyl]morpholine
CID 70699667
4-[[2,6-difluoro-4-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine
CID 167418484
4-[(4-bromo-1-methylindol-3-yl)methyl]morpholine
CID 117171194
4-[3-[4-[8-[4-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methoxyphenoxy]propyl]morpholine
CID 67538487
2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine
CID 146252701
4-[[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
CID 59392786
4-[[4-[3-[3,5-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine
CID 174591781

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).