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

C22H23BrN2O3 — CID 10072079

IUPAC[6-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cn(CCN3CCOCC3)c3cc(Br)ccc23)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)21-14-17(23)4-7-19(20)21/h2-7,14-15H,8-13H2,1H3
InChIKeyZKVGLLJDIFUROH-UHFFFAOYSA-N
MW443.34 g/mol
LogP3.98
Rot. Bonds6

About [6-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone

[6-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 10072079) has the molecular formula C22H23BrN2O3 and a molecular weight of 443.34 g/mol. Its IUPAC name is [6-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[6-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone
PubChem CID10072079
Molecular FormulaC22H23BrN2O3
Molecular Weight443.34 g/mol
Exact Mass442.09
IUPAC Name[6-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cn(CCN3CCOCC3)c3cc(Br)ccc23)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)21-14-17(23)4-7-19(20)21/h2-7,14-15H,8-13H2,1H3
InChIKeyZKVGLLJDIFUROH-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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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
AM-630
CID 4302963
Pravadoline
CID 56463
Jwh 302
CID 11493740
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
Win 54,461
CID 9868699
4-{2-[6-(benzyloxy)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl]ethyl}morpholine
CID 11676975
4-(2-{6-methoxy-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl}ethyl)morpholine
CID 11689539
4-(2-{5-methoxy-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl}ethyl)morpholine
CID 24768501
4-{2-[5-(benzyloxy)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl]ethyl}morpholine
CID 24768502
1-[2-(4-Methoxyphenoxy)ethyl]-1H-indole-3-carbaldehyde
CID 589080
1-[1-(2-o-Tolyloxy-ethyl)-1H-indol-3-yl]-ethanone
CID 951675

Frequently Asked Questions

What is the IUPAC name of [6-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [6-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone (CID 10072079) is [6-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [6-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [6-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cn(CCN3CCOCC3)c3cc(Br)ccc23)cc1.
What is the InChIKey of [6-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is ZKVGLLJDIFUROH-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)21-14-17(23)4-7-19(20)21/h2-7,14-15H,8-13H2,1H3.
What are the key properties of [6-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone?
[6-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 [6-bromo-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 10072079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).