(7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone

C15H17BrN2O2 — CID 171663017

IUPAC(7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone
SMILESCCn1c(C(=O)N2CCOCC2)cc2cccc(Br)c21
InChIInChI=1S/C15H17BrN2O2/c1-2-18-13(15(19)17-6-8-20-9-7-17)10-11-4-3-5-12(16)14(11)18/h3-5,10H,2,6-9H2,1H3
InChIKeyHIMRHAFYTDJRGM-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.90
Rot. Bonds2

About (7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone

(7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone (PubChem CID 171663017) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is (7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone
PubChem CID171663017
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name(7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone
SMILESCCn1c(C(=O)N2CCOCC2)cc2cccc(Br)c21
InChIInChI=1S/C15H17BrN2O2/c1-2-18-13(15(19)17-6-8-20-9-7-17)10-11-4-3-5-12(16)14(11)18/h3-5,10H,2,6-9H2,1H3
InChIKeyHIMRHAFYTDJRGM-UHFFFAOYSA-N
XLogP2.90
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7-bromo-1-ethylindol-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 171663023
tert-butyl 4-(7-bromo-1-ethylindole-2-carbonyl)-2-methylpiperazine-1-carboxylate
CID 171663027
(7-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 129160714
(5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 42669611
[3-bromo-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
CID 46040359
[3-bromo-4-(3-methylbut-2-enyl)thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
CID 46040268
[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
CID 30482005
(1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95607135
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide
CID 50802027
ethyl 7-bromo-1-butylindole-2-carboxylate
CID 171662940
ethane;(3-ethylphenyl)-morpholin-4-ylmethanone
CID 143725238

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone (CID 171663017) is (7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone is CCn1c(C(=O)N2CCOCC2)cc2cccc(Br)c21.
What is the InChIKey of (7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone?
The InChIKey is HIMRHAFYTDJRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-2-18-13(15(19)17-6-8-20-9-7-17)10-11-4-3-5-12(16)14(11)18/h3-5,10H,2,6-9H2,1H3.
What are the key properties of (7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone?
(7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone has a molecular weight of 337.22 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 171663017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).