[5-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone

C22H23BrN2O3 — CID 11744106

IUPAC[5-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccc(Br)cc23)cc1
InChIInChI=1S/C22H23BrN2O3/c1-27-18-5-2-16(3-6-18)22(26)20-15-25(9-8-24-10-12-28-13-11-24)21-7-4-17(23)14-19(20)21/h2-7,14-15H,8-13H2,1H3
InChIKeyUZOQQBZYBOVLSO-UHFFFAOYSA-N
MW443.34 g/mol
LogP3.98
Rot. Bonds6

About [5-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone

[5-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 11744106) has the molecular formula C22H23BrN2O3 and a molecular weight of 443.34 g/mol. Its IUPAC name is [5-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[5-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone
PubChem CID11744106
Molecular FormulaC22H23BrN2O3
Molecular Weight443.34 g/mol
Exact Mass442.09
IUPAC Name[5-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccc(Br)cc23)cc1
InChIInChI=1S/C22H23BrN2O3/c1-27-18-5-2-16(3-6-18)22(26)20-15-25(9-8-24-10-12-28-13-11-24)21-7-4-17(23)14-19(20)21/h2-7,14-15H,8-13H2,1H3
InChIKeyUZOQQBZYBOVLSO-UHFFFAOYSA-N
XLogP3.98
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [5-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone (CID 11744106) is [5-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [5-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [5-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccc(Br)cc23)cc1.
What is the InChIKey of [5-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is UZOQQBZYBOVLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O3/c1-27-18-5-2-16(3-6-18)22(26)20-15-25(9-8-24-10-12-28-13-11-24)21-7-4-17(23)14-19(20)21/h2-7,14-15H,8-13H2,1H3.
What are the key properties of [5-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone?
[5-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 443.34 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 11744106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).