triethyl-[2-[3-[[6-oxo-6-[2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]hexyl]carbamoyl]-5-[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl]azanium;dibromide;hydrochloride

C42H67Br2ClN6O4 — CID 23657684

IUPACtriethyl-[2-[3-[[6-oxo-6-[2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]hexyl]carbamoyl]-5-[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl]azanium;dibromide;hydrochloride
SMILESCC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)c1.Cl.[Br-].[Br-]
InChIInChI=1S/C42H64N6O4.2BrH.ClH/c1-7-47(8-2,9-3)26-28-51-34-30-33(31-35(32-34)52-29-27-48(10-4,11-5)12-6)42(50)43-25-19-13-14-24-40(49)45-46-41-36-20-15-17-22-38(36)44-39-23-18-16-21-37(39)41;;;/h15,17,20,22,30-32H,7-14,16,18-19,21,23-29H2,1-6H3,(H-2,43,44,45,46,49,50);3*1H
InChIKeyVPCABIGJOLMKNO-UHFFFAOYSA-N
MW915.30 g/mol
LogP1.49
Rot. Bonds23

About triethyl-[2-[3-[[6-oxo-6-[2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]hexyl]carbamoyl]-5-[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl]azanium;dibromide;hydrochloride

triethyl-[2-[3-[[6-oxo-6-[2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]hexyl]carbamoyl]-5-[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl]azanium;dibromide;hydrochloride (PubChem CID 23657684) has the molecular formula C42H67Br2ClN6O4 and a molecular weight of 915.30 g/mol. Its IUPAC name is triethyl-[2-[3-[[6-oxo-6-[2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]hexyl]carbamoyl]-5-[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl]azanium;dibromide;hydrochloride.

Molecular Properties

Compound Nametriethyl-[2-[3-[[6-oxo-6-[2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]hexyl]carbamoyl]-5-[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl]azanium;dibromide;hydrochloride
PubChem CID23657684
Molecular FormulaC42H67Br2ClN6O4
Molecular Weight915.30 g/mol
Exact Mass912.33
IUPAC Nametriethyl-[2-[3-[[6-oxo-6-[2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]hexyl]carbamoyl]-5-[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl]azanium;dibromide;hydrochloride
SMILESCC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)c1.Cl.[Br-].[Br-]
InChIInChI=1S/C42H64N6O4.2BrH.ClH/c1-7-47(8-2,9-3)26-28-51-34-30-33(31-35(32-34)52-29-27-48(10-4,11-5)12-6)42(50)43-25-19-13-14-24-40(49)45-46-41-36-20-15-17-22-38(36)44-39-23-18-16-21-37(39)41;;;/h15,17,20,22,30-32H,7-14,16,18-19,21,23-29H2,1-6H3,(H-2,43,44,45,46,49,50);3*1H
InChIKeyVPCABIGJOLMKNO-UHFFFAOYSA-N
XLogP1.49
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms55
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500915.30
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze triethyl-[2-[3-[[6-oxo-6-[2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]hexyl]carbamoyl]-5-[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl]azanium;dibromide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[3-[[6-oxo-6-[2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]hexyl]carbamoyl]-5-[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl]azanium;dibromide;hydrochloride?
The IUPAC name of triethyl-[2-[3-[[6-oxo-6-[2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]hexyl]carbamoyl]-5-[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl]azanium;dibromide;hydrochloride (CID 23657684) is triethyl-[2-[3-[[6-oxo-6-[2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]hexyl]carbamoyl]-5-[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl]azanium;dibromide;hydrochloride.
What is the SMILES notation for triethyl-[2-[3-[[6-oxo-6-[2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]hexyl]carbamoyl]-5-[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl]azanium;dibromide;hydrochloride?
The canonical SMILES for triethyl-[2-[3-[[6-oxo-6-[2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]hexyl]carbamoyl]-5-[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl]azanium;dibromide;hydrochloride is CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)c1.Cl.[Br-].[Br-].
What is the InChIKey of triethyl-[2-[3-[[6-oxo-6-[2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]hexyl]carbamoyl]-5-[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl]azanium;dibromide;hydrochloride?
The InChIKey is VPCABIGJOLMKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H64N6O4.2BrH.ClH/c1-7-47(8-2,9-3)26-28-51-34-30-33(31-35(32-34)52-29-27-48(10-4,11-5)12-6)42(50)43-25-19-13-14-24-40(49)45-46-41-36-20-15-17-22-38(36)44-39-23-18-16-21-37(39)41;;;/h15,17,20,22,30-32H,7-14,16,18-19,21,23-29H2,1-6H3,(H-2,43,44,45,46,49,50);3*1H.
What are the key properties of triethyl-[2-[3-[[6-oxo-6-[2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]hexyl]carbamoyl]-5-[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl]azanium;dibromide;hydrochloride?
triethyl-[2-[3-[[6-oxo-6-[2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]hexyl]carbamoyl]-5-[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl]azanium;dibromide;hydrochloride has a molecular weight of 915.30 g/mol, XLogP of 1.49, 23 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-[3-[[6-oxo-6-[2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]hexyl]carbamoyl]-5-[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl]azanium;dibromide;hydrochloride is sourced from PubChem (CID 23657684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).