2-(6-chloro-1-oxo-3,4-dihydro-2H-carbazol-9-yl)ethyl-diethylazanium chloride

C18H24Cl2N2O — CID 29166

IUPAC2-(6-chloro-1-oxo-3,4-dihydro-2H-carbazol-9-yl)ethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCn1c2c(c3cc(Cl)ccc31)CCCC2=O.[Cl-]
InChIInChI=1S/C18H23ClN2O.ClH/c1-3-20(4-2)10-11-21-16-9-8-13(19)12-15(16)14-6-5-7-17(22)18(14)21;/h8-9,12H,3-7,10-11H2,1-2H3;1H
InChIKeyQSYGRIQZTDHMGW-UHFFFAOYSA-N
MW355.31 g/mol
LogP-0.26
Rot. Bonds5

About 2-(6-chloro-1-oxo-3,4-dihydro-2H-carbazol-9-yl)ethyl-diethylazanium chloride

2-(6-chloro-1-oxo-3,4-dihydro-2H-carbazol-9-yl)ethyl-diethylazanium chloride (PubChem CID 29166) has the molecular formula C18H24Cl2N2O and a molecular weight of 355.31 g/mol. Its IUPAC name is 2-(6-chloro-1-oxo-3,4-dihydro-2H-carbazol-9-yl)ethyl-diethylazanium chloride.

Molecular Properties

Compound Name2-(6-chloro-1-oxo-3,4-dihydro-2H-carbazol-9-yl)ethyl-diethylazanium chloride
PubChem CID29166
Molecular FormulaC18H24Cl2N2O
Molecular Weight355.31 g/mol
Exact Mass354.13
IUPAC Name2-(6-chloro-1-oxo-3,4-dihydro-2H-carbazol-9-yl)ethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCn1c2c(c3cc(Cl)ccc31)CCCC2=O.[Cl-]
InChIInChI=1S/C18H23ClN2O.ClH/c1-3-20(4-2)10-11-21-16-9-8-13(19)12-15(16)14-6-5-7-17(22)18(14)21;/h8-9,12H,3-7,10-11H2,1-2H3;1H
InChIKeyQSYGRIQZTDHMGW-UHFFFAOYSA-N
XLogP-0.26
TPSA26.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-oxo-3,4-dihydro-2H-carbazol-9-yl)ethyl-diethylazanium chloride?
The IUPAC name of 2-(6-chloro-1-oxo-3,4-dihydro-2H-carbazol-9-yl)ethyl-diethylazanium chloride (CID 29166) is 2-(6-chloro-1-oxo-3,4-dihydro-2H-carbazol-9-yl)ethyl-diethylazanium chloride.
What is the SMILES notation for 2-(6-chloro-1-oxo-3,4-dihydro-2H-carbazol-9-yl)ethyl-diethylazanium chloride?
The canonical SMILES for 2-(6-chloro-1-oxo-3,4-dihydro-2H-carbazol-9-yl)ethyl-diethylazanium chloride is CC[NH+](CC)CCn1c2c(c3cc(Cl)ccc31)CCCC2=O.[Cl-].
What is the InChIKey of 2-(6-chloro-1-oxo-3,4-dihydro-2H-carbazol-9-yl)ethyl-diethylazanium chloride?
The InChIKey is QSYGRIQZTDHMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O.ClH/c1-3-20(4-2)10-11-21-16-9-8-13(19)12-15(16)14-6-5-7-17(22)18(14)21;/h8-9,12H,3-7,10-11H2,1-2H3;1H.
What are the key properties of 2-(6-chloro-1-oxo-3,4-dihydro-2H-carbazol-9-yl)ethyl-diethylazanium chloride?
2-(6-chloro-1-oxo-3,4-dihydro-2H-carbazol-9-yl)ethyl-diethylazanium chloride has a molecular weight of 355.31 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-oxo-3,4-dihydro-2H-carbazol-9-yl)ethyl-diethylazanium chloride is sourced from PubChem (CID 29166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).