magnesium;1-chloro-9H-pyrido[3,4-b]indole;ethane;1-ethyl-9H-pyrido[3,4-b]indole;bromide

C26H24BrClMgN4 — CID 159822369

IUPACmagnesium;1-chloro-9H-pyrido[3,4-b]indole;ethane;1-ethyl-9H-pyrido[3,4-b]indole;bromide
SMILESCCc1nccc2c1[nH]c1ccccc12.Clc1nccc2c1[nH]c1ccccc12.[Br-].[CH2-]C.[Mg+2]
InChIInChI=1S/C13H12N2.C11H7ClN2.C2H5.BrH.Mg/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13;12-11-10-8(5-6-13-11)7-3-1-2-4-9(7)14-10;1-2;;/h3-8,15H,2H2,1H3;1-6,14H;1H2,2H3;1H;/q;;-1;;+2/p-1
InChIKeyNINFJFXJOMTEQE-UHFFFAOYSA-M
MW532.17 g/mol
LogP4.11
Rot. Bonds1

About magnesium;1-chloro-9H-pyrido[3,4-b]indole;ethane;1-ethyl-9H-pyrido[3,4-b]indole;bromide

magnesium;1-chloro-9H-pyrido[3,4-b]indole;ethane;1-ethyl-9H-pyrido[3,4-b]indole;bromide (PubChem CID 159822369) has the molecular formula C26H24BrClMgN4 and a molecular weight of 532.17 g/mol. Its IUPAC name is magnesium;1-chloro-9H-pyrido[3,4-b]indole;ethane;1-ethyl-9H-pyrido[3,4-b]indole;bromide.

Molecular Properties

Compound Namemagnesium;1-chloro-9H-pyrido[3,4-b]indole;ethane;1-ethyl-9H-pyrido[3,4-b]indole;bromide
PubChem CID159822369
Molecular FormulaC26H24BrClMgN4
Molecular Weight532.17 g/mol
Exact Mass530.07
IUPAC Namemagnesium;1-chloro-9H-pyrido[3,4-b]indole;ethane;1-ethyl-9H-pyrido[3,4-b]indole;bromide
SMILESCCc1nccc2c1[nH]c1ccccc12.Clc1nccc2c1[nH]c1ccccc12.[Br-].[CH2-]C.[Mg+2]
InChIInChI=1S/C13H12N2.C11H7ClN2.C2H5.BrH.Mg/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13;12-11-10-8(5-6-13-11)7-3-1-2-4-9(7)14-10;1-2;;/h3-8,15H,2H2,1H3;1-6,14H;1H2,2H3;1H;/q;;-1;;+2/p-1
InChIKeyNINFJFXJOMTEQE-UHFFFAOYSA-M
XLogP4.11
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.17
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze magnesium;1-chloro-9H-pyrido[3,4-b]indole;ethane;1-ethyl-9H-pyrido[3,4-b]indole;bromide with MolForge

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Related Compounds

Beta-Carboline
CID 64961
Harman
CID 5281404
3-Methyl-9h-pyrido[3,4-b]indole
CID 13315103
9H-Pyrido(3,4-b)indole, 1-methyl-, hydrochloride (1:1)
CID 5487918
Eudistomin U
CID 10334023
Usambarensine
CID 5281413
Benzyl-(9H-beta-carbolin-6-yl)-amine
CID 364142
9-Mono-N'-methylnorharman
CID 3036890
3-chloro-9H-pyrido[3,4-b]indole
CID 6198020
N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-amine
CID 10172517
(2R)-4-{6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}-1-(1H-indol-3-yl)butan-2-amine
CID 10237709
3-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole
CID 44413409

Frequently Asked Questions

What is the IUPAC name of magnesium;1-chloro-9H-pyrido[3,4-b]indole;ethane;1-ethyl-9H-pyrido[3,4-b]indole;bromide?
The IUPAC name of magnesium;1-chloro-9H-pyrido[3,4-b]indole;ethane;1-ethyl-9H-pyrido[3,4-b]indole;bromide (CID 159822369) is magnesium;1-chloro-9H-pyrido[3,4-b]indole;ethane;1-ethyl-9H-pyrido[3,4-b]indole;bromide.
What is the SMILES notation for magnesium;1-chloro-9H-pyrido[3,4-b]indole;ethane;1-ethyl-9H-pyrido[3,4-b]indole;bromide?
The canonical SMILES for magnesium;1-chloro-9H-pyrido[3,4-b]indole;ethane;1-ethyl-9H-pyrido[3,4-b]indole;bromide is CCc1nccc2c1[nH]c1ccccc12.Clc1nccc2c1[nH]c1ccccc12.[Br-].[CH2-]C.[Mg+2].
What is the InChIKey of magnesium;1-chloro-9H-pyrido[3,4-b]indole;ethane;1-ethyl-9H-pyrido[3,4-b]indole;bromide?
The InChIKey is NINFJFXJOMTEQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12N2.C11H7ClN2.C2H5.BrH.Mg/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13;12-11-10-8(5-6-13-11)7-3-1-2-4-9(7)14-10;1-2;;/h3-8,15H,2H2,1H3;1-6,14H;1H2,2H3;1H;/q;;-1;;+2/p-1.
What are the key properties of magnesium;1-chloro-9H-pyrido[3,4-b]indole;ethane;1-ethyl-9H-pyrido[3,4-b]indole;bromide?
magnesium;1-chloro-9H-pyrido[3,4-b]indole;ethane;1-ethyl-9H-pyrido[3,4-b]indole;bromide has a molecular weight of 532.17 g/mol, XLogP of 4.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-chloro-9H-pyrido[3,4-b]indole;ethane;1-ethyl-9H-pyrido[3,4-b]indole;bromide is sourced from PubChem (CID 159822369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).