(6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone

C15H17BrN2O — CID 172674672

IUPAC(6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone
SMILESCCn1cc(C(=O)N2CC(C)C2)c2ccc(Br)cc21
InChIInChI=1S/C15H17BrN2O/c1-3-17-9-13(15(19)18-7-10(2)8-18)12-5-4-11(16)6-14(12)17/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyZAXSXMVFYVAWQN-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.52
Rot. Bonds2

About (6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone

(6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone (PubChem CID 172674672) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is (6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone
PubChem CID172674672
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name(6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone
SMILESCCn1cc(C(=O)N2CC(C)C2)c2ccc(Br)cc21
InChIInChI=1S/C15H17BrN2O/c1-3-17-9-13(15(19)18-7-10(2)8-18)12-5-4-11(16)6-14(12)17/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyZAXSXMVFYVAWQN-UHFFFAOYSA-N
XLogP3.52
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 50877261
6-bromo-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid
CID 172674755
[6-bromo-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 69491353
(6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone
CID 172654878
1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one
CID 162765499
(5-bromo-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 172654563
[6-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indol-3-yl]-thiomorpholin-4-ylmethanone
CID 22573957
[6-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 22573969
2-(6-bromo-1-ethylindol-3-yl)propanoic acid
CID 117122253
(1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 110108182
3-(6-bromo-1-ethylindol-3-yl)propanoic acid
CID 117122264
(1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 96997373

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone?
The IUPAC name of (6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone (CID 172674672) is (6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone.
What is the SMILES notation for (6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone?
The canonical SMILES for (6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone is CCn1cc(C(=O)N2CC(C)C2)c2ccc(Br)cc21.
What is the InChIKey of (6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone?
The InChIKey is ZAXSXMVFYVAWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-3-17-9-13(15(19)18-7-10(2)8-18)12-5-4-11(16)6-14(12)17/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of (6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone?
(6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone has a molecular weight of 321.22 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 172674672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).