methyl 3-[4-(4-bromophenyl)-1-methyl-3-morpholin-4-ylpyrrol-2-yl]propanoate

C19H23BrN2O3 — CID 110167805

IUPACmethyl 3-[4-(4-bromophenyl)-1-methyl-3-morpholin-4-ylpyrrol-2-yl]propanoate
SMILESCOC(=O)CCc1c(N2CCOCC2)c(-c2ccc(Br)cc2)cn1C
InChIInChI=1S/C19H23BrN2O3/c1-21-13-16(14-3-5-15(20)6-4-14)19(22-9-11-25-12-10-22)17(21)7-8-18(23)24-2/h3-6,13H,7-12H2,1-2H3
InChIKeyVHBSHEOZXPUEEM-UHFFFAOYSA-N
MW407.31 g/mol
LogP3.40
Rot. Bonds5

About methyl 3-[4-(4-bromophenyl)-1-methyl-3-morpholin-4-ylpyrrol-2-yl]propanoate

methyl 3-[4-(4-bromophenyl)-1-methyl-3-morpholin-4-ylpyrrol-2-yl]propanoate (PubChem CID 110167805) has the molecular formula C19H23BrN2O3 and a molecular weight of 407.31 g/mol. Its IUPAC name is methyl 3-[4-(4-bromophenyl)-1-methyl-3-morpholin-4-ylpyrrol-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(4-bromophenyl)-1-methyl-3-morpholin-4-ylpyrrol-2-yl]propanoate
PubChem CID110167805
Molecular FormulaC19H23BrN2O3
Molecular Weight407.31 g/mol
Exact Mass406.09
IUPAC Namemethyl 3-[4-(4-bromophenyl)-1-methyl-3-morpholin-4-ylpyrrol-2-yl]propanoate
SMILESCOC(=O)CCc1c(N2CCOCC2)c(-c2ccc(Br)cc2)cn1C
InChIInChI=1S/C19H23BrN2O3/c1-21-13-16(14-3-5-15(20)6-4-14)19(22-9-11-25-12-10-22)17(21)7-8-18(23)24-2/h3-6,13H,7-12H2,1-2H3
InChIKeyVHBSHEOZXPUEEM-UHFFFAOYSA-N
XLogP3.40
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(4-bromophenyl)-5-morpholin-4-ylpyrazol-1-yl]acetate
CID 110170346
methyl 3-[6-(4-morpholin-4-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoate
CID 90736361
methyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate
CID 10690235
methyl 3-(4-morpholin-4-ylanilino)propanoate
CID 63180474
methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
CID 51985182
1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone
CID 110172467
methyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 11822850
methyl 3-[3-(4-bromophenyl)-4-carbamoyl-5-methyl-1-(2-phenylethyl)pyrrol-2-yl]propanoate
CID 3711390
methyl 4-(3-bromophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 10785031
3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 91755643
4-[3-(4-bromophenyl)-5-methylthiophen-2-yl]morpholine
CID 11450586
methyl (3-morpholin-4-yl-4-pyridin-4-yl-1H-pyrrol-2-yl) carbonate
CID 67620142

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-bromophenyl)-1-methyl-3-morpholin-4-ylpyrrol-2-yl]propanoate?
The IUPAC name of methyl 3-[4-(4-bromophenyl)-1-methyl-3-morpholin-4-ylpyrrol-2-yl]propanoate (CID 110167805) is methyl 3-[4-(4-bromophenyl)-1-methyl-3-morpholin-4-ylpyrrol-2-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(4-bromophenyl)-1-methyl-3-morpholin-4-ylpyrrol-2-yl]propanoate?
The canonical SMILES for methyl 3-[4-(4-bromophenyl)-1-methyl-3-morpholin-4-ylpyrrol-2-yl]propanoate is COC(=O)CCc1c(N2CCOCC2)c(-c2ccc(Br)cc2)cn1C.
What is the InChIKey of methyl 3-[4-(4-bromophenyl)-1-methyl-3-morpholin-4-ylpyrrol-2-yl]propanoate?
The InChIKey is VHBSHEOZXPUEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3/c1-21-13-16(14-3-5-15(20)6-4-14)19(22-9-11-25-12-10-22)17(21)7-8-18(23)24-2/h3-6,13H,7-12H2,1-2H3.
What are the key properties of methyl 3-[4-(4-bromophenyl)-1-methyl-3-morpholin-4-ylpyrrol-2-yl]propanoate?
methyl 3-[4-(4-bromophenyl)-1-methyl-3-morpholin-4-ylpyrrol-2-yl]propanoate has a molecular weight of 407.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-bromophenyl)-1-methyl-3-morpholin-4-ylpyrrol-2-yl]propanoate is sourced from PubChem (CID 110167805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).