4-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-methylphthalazin-1-one

C19H21ClN4O — CID 118928588

IUPAC4-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-methylphthalazin-1-one
SMILESCN(C)C(CNc1nn(C)c(=O)c2ccccc12)c1ccccc1Cl
InChIInChI=1S/C19H21ClN4O/c1-23(2)17(15-10-6-7-11-16(15)20)12-21-18-13-8-4-5-9-14(13)19(25)24(3)22-18/h4-11,17H,12H2,1-3H3,(H,21,22)
InChIKeyJUSBSRITVIIIQG-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.30
Rot. Bonds5

About 4-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-methylphthalazin-1-one

4-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-methylphthalazin-1-one (PubChem CID 118928588) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 4-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-methylphthalazin-1-one.

Molecular Properties

Compound Name4-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-methylphthalazin-1-one
PubChem CID118928588
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name4-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-methylphthalazin-1-one
SMILESCN(C)C(CNc1nn(C)c(=O)c2ccccc12)c1ccccc1Cl
InChIInChI=1S/C19H21ClN4O/c1-23(2)17(15-10-6-7-11-16(15)20)12-21-18-13-8-4-5-9-14(13)19(25)24(3)22-18/h4-11,17H,12H2,1-3H3,(H,21,22)
InChIKeyJUSBSRITVIIIQG-UHFFFAOYSA-N
XLogP3.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[4-(benzenesulfonyl)phenyl]-2-(dimethylamino)ethyl]amino]-2-methylphthalazin-1-one
CID 145029205
4-[[(2S)-2-(dimethylamino)butyl]amino]-2-methylphthalazin-1-one
CID 118928732
4-[[(2R)-2-(dimethylamino)butyl]amino]-2-methylphthalazin-1-one
CID 118928686
buta-1,3-diene;8-[[2-(dimethylamino)-2-phenylethyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one
CID 145029079
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9302504
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 51499769
1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 51080234
1-(2-chlorophenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 42909539
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46664447
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 30686848
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 8796334
4-[[(1R,2S)-1-(dimethylamino)-1-pyridin-2-ylpropan-2-yl]amino]-2-methylphthalazin-1-one
CID 118928730

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-methylphthalazin-1-one?
The IUPAC name of 4-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-methylphthalazin-1-one (CID 118928588) is 4-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-methylphthalazin-1-one.
What is the SMILES notation for 4-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-methylphthalazin-1-one?
The canonical SMILES for 4-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-methylphthalazin-1-one is CN(C)C(CNc1nn(C)c(=O)c2ccccc12)c1ccccc1Cl.
What is the InChIKey of 4-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-methylphthalazin-1-one?
The InChIKey is JUSBSRITVIIIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-23(2)17(15-10-6-7-11-16(15)20)12-21-18-13-8-4-5-9-14(13)19(25)24(3)22-18/h4-11,17H,12H2,1-3H3,(H,21,22).
What are the key properties of 4-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-methylphthalazin-1-one?
4-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-methylphthalazin-1-one has a molecular weight of 356.86 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-methylphthalazin-1-one is sourced from PubChem (CID 118928588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).