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

C19H21FN4O — CID 118917355

IUPAC4-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2-methylphthalazin-1-one
SMILESCN(C)C(CNc1nn(C)c(=O)c2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O/c1-23(2)17(13-8-10-14(20)11-9-13)12-21-18-15-6-4-5-7-16(15)19(25)24(3)22-18/h4-11,17H,12H2,1-3H3,(H,21,22)
InChIKeySVMHXWNMDJIHPT-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.79
Rot. Bonds5

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

4-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2-methylphthalazin-1-one (PubChem CID 118917355) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2-methylphthalazin-1-one.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2-methylphthalazin-1-one
PubChem CID118917355
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name4-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2-methylphthalazin-1-one
SMILESCN(C)C(CNc1nn(C)c(=O)c2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O/c1-23(2)17(13-8-10-14(20)11-9-13)12-21-18-15-6-4-5-7-16(15)19(25)24(3)22-18/h4-11,17H,12H2,1-3H3,(H,21,22)
InChIKeySVMHXWNMDJIHPT-UHFFFAOYSA-N
XLogP2.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

KU-0058948
CID 11291932
4-((4-Fluoro-3-(piperazine-1-carbonyl)phenyl)methyl)-1,2-dihydrophthalazin-1-one
CID 11726399
Talastine
CID 65624
(2S)-2-[[2-(3,5-difluorophenyl)-2-oxoacetyl]amino]-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)propanamide
CID 44440651
4-[(4-fluorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
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4-[(3-fluorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937728
4-[(3,4-difluorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937732
N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 714735
2-(3-butyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(2-(diethylamino)ethyl)acetamide
CID 1827716
3-(1-oxo-4-phenylphthalazin-2(1H)-yl)-N-propylpropanamide
CID 1884678
4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide
CID 3155239
N-Benzyl-2-(4-methyl-1-oxo-1H-phthalazin-2-yl)-acetamide
CID 589822

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2-methylphthalazin-1-one?
The IUPAC name of 4-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2-methylphthalazin-1-one (CID 118917355) is 4-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2-methylphthalazin-1-one.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2-methylphthalazin-1-one?
The canonical SMILES for 4-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2-methylphthalazin-1-one is CN(C)C(CNc1nn(C)c(=O)c2ccccc12)c1ccc(F)cc1.
What is the InChIKey of 4-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2-methylphthalazin-1-one?
The InChIKey is SVMHXWNMDJIHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-23(2)17(13-8-10-14(20)11-9-13)12-21-18-15-6-4-5-7-16(15)19(25)24(3)22-18/h4-11,17H,12H2,1-3H3,(H,21,22).
What are the key properties of 4-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2-methylphthalazin-1-one?
4-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2-methylphthalazin-1-one has a molecular weight of 340.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2-methylphthalazin-1-one is sourced from PubChem (CID 118917355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).