dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride

C18H20ClN3O — CID 43834263

IUPACdimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride
SMILESC[NH+](C)CCn1nc(-c2ccccc2)c2ccccc2c1=O.[Cl-]
InChIInChI=1S/C18H19N3O.ClH/c1-20(2)12-13-21-18(22)16-11-7-6-10-15(16)17(19-21)14-8-4-3-5-9-14;/h3-11H,12-13H2,1-2H3;1H
InChIKeySFSFUJQNSPOUPV-UHFFFAOYSA-N
MW329.83 g/mol
LogP-1.79
Rot. Bonds4

About dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride

dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride (PubChem CID 43834263) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride
PubChem CID43834263
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Namedimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride
SMILESC[NH+](C)CCn1nc(-c2ccccc2)c2ccccc2c1=O.[Cl-]
InChIInChI=1S/C18H19N3O.ClH/c1-20(2)12-13-21-18(22)16-11-7-6-10-15(16)17(19-21)14-8-4-3-5-9-14;/h3-11H,12-13H2,1-2H3;1H
InChIKeySFSFUJQNSPOUPV-UHFFFAOYSA-N
XLogP-1.79
TPSA39.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 5-1.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride?
The IUPAC name of dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride (CID 43834263) is dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride.
What is the SMILES notation for dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride?
The canonical SMILES for dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride is C[NH+](C)CCn1nc(-c2ccccc2)c2ccccc2c1=O.[Cl-].
What is the InChIKey of dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride?
The InChIKey is SFSFUJQNSPOUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O.ClH/c1-20(2)12-13-21-18(22)16-11-7-6-10-15(16)17(19-21)14-8-4-3-5-9-14;/h3-11H,12-13H2,1-2H3;1H.
What are the key properties of dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride?
dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride has a molecular weight of 329.83 g/mol, XLogP of -1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride is sourced from PubChem (CID 43834263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).