6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,3-dihydrophthalazine-1,4-dione

C18H17N3O2 — CID 11716497

IUPAC6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,3-dihydrophthalazine-1,4-dione
SMILESCN(C)c1ccc(/C=C/c2ccc3c(=O)[nH][nH]c(=O)c3c2)cc1
InChIInChI=1S/C18H17N3O2/c1-21(2)14-8-5-12(6-9-14)3-4-13-7-10-15-16(11-13)18(23)20-19-17(15)22/h3-11H,1-2H3,(H,19,22)(H,20,23)/b4-3+
InChIKeyUEVHIGWFXZBDJM-ONEGZZNKSA-N
MW307.35 g/mol
LogP2.45
Rot. Bonds3

About 6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,3-dihydrophthalazine-1,4-dione

6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,3-dihydrophthalazine-1,4-dione (PubChem CID 11716497) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,3-dihydrophthalazine-1,4-dione.

Molecular Properties

Compound Name6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,3-dihydrophthalazine-1,4-dione
PubChem CID11716497
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,3-dihydrophthalazine-1,4-dione
SMILESCN(C)c1ccc(/C=C/c2ccc3c(=O)[nH][nH]c(=O)c3c2)cc1
InChIInChI=1S/C18H17N3O2/c1-21(2)14-8-5-12(6-9-14)3-4-13-7-10-15-16(11-13)18(23)20-19-17(15)22/h3-11H,1-2H3,(H,19,22)(H,20,23)/b4-3+
InChIKeyUEVHIGWFXZBDJM-ONEGZZNKSA-N
XLogP2.45
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline
CID 6538430
2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-one
CID 72747116
4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline
CID 10936986
2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-one
CID 67991191
4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 10895598
4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-fluoro-N,N-dimethylaniline
CID 168830159
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid
CID 59595410

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,3-dihydrophthalazine-1,4-dione?
The IUPAC name of 6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,3-dihydrophthalazine-1,4-dione (CID 11716497) is 6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,3-dihydrophthalazine-1,4-dione.
What is the SMILES notation for 6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,3-dihydrophthalazine-1,4-dione?
The canonical SMILES for 6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,3-dihydrophthalazine-1,4-dione is CN(C)c1ccc(/C=C/c2ccc3c(=O)[nH][nH]c(=O)c3c2)cc1.
What is the InChIKey of 6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,3-dihydrophthalazine-1,4-dione?
The InChIKey is UEVHIGWFXZBDJM-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21(2)14-8-5-12(6-9-14)3-4-13-7-10-15-16(11-13)18(23)20-19-17(15)22/h3-11H,1-2H3,(H,19,22)(H,20,23)/b4-3+.
What are the key properties of 6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,3-dihydrophthalazine-1,4-dione?
6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,3-dihydrophthalazine-1,4-dione has a molecular weight of 307.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,3-dihydrophthalazine-1,4-dione is sourced from PubChem (CID 11716497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).