(6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone

C15H17BrN2O2 — CID 172654878

IUPAC(6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cn(C)c3cc(Br)ccc23)CCO1
InChIInChI=1S/C15H17BrN2O2/c1-10-8-18(5-6-20-10)15(19)13-9-17(2)14-7-11(16)3-4-12(13)14/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyHAMYAZFSAVUJSX-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.80
Rot. Bonds1

About (6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone

(6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 172654878) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is (6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone
PubChem CID172654878
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name(6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cn(C)c3cc(Br)ccc23)CCO1
InChIInChI=1S/C15H17BrN2O2/c1-10-8-18(5-6-20-10)15(19)13-9-17(2)14-7-11(16)3-4-12(13)14/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyHAMYAZFSAVUJSX-UHFFFAOYSA-N
XLogP2.80
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone
CID 172654877
(5-bromo-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 172654563
[4-bromo-2-(trifluoromethoxy)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647360
(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 115283093
(5-bromo-2-fluoro-4-pyridinyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647405
(6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone
CID 172674672
(5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 172654558
(3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172648043
(2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647327
(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 30787030
(2-bromo-3-methylphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647311
(4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 71683349

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone (CID 172654878) is (6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cn(C)c3cc(Br)ccc23)CCO1.
What is the InChIKey of (6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is HAMYAZFSAVUJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10-8-18(5-6-20-10)15(19)13-9-17(2)14-7-11(16)3-4-12(13)14/h3-4,7,9-10H,5-6,8H2,1-2H3.
What are the key properties of (6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone?
(6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 337.22 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 172654878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).