5-ethenyl-2-[(4-methoxyphenyl)methyl]phthalazin-1-one

C18H16N2O2 — CID 165393026

IUPAC5-ethenyl-2-[(4-methoxyphenyl)methyl]phthalazin-1-one
SMILESC=Cc1cccc2c(=O)n(Cc3ccc(OC)cc3)ncc12
InChIInChI=1S/C18H16N2O2/c1-3-14-5-4-6-16-17(14)11-19-20(18(16)21)12-13-7-9-15(22-2)10-8-13/h3-11H,1,12H2,2H3
InChIKeyZJCCJQDITUPSTN-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.10
Rot. Bonds4

About 5-ethenyl-2-[(4-methoxyphenyl)methyl]phthalazin-1-one

5-ethenyl-2-[(4-methoxyphenyl)methyl]phthalazin-1-one (PubChem CID 165393026) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-ethenyl-2-[(4-methoxyphenyl)methyl]phthalazin-1-one.

Molecular Properties

Compound Name5-ethenyl-2-[(4-methoxyphenyl)methyl]phthalazin-1-one
PubChem CID165393026
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name5-ethenyl-2-[(4-methoxyphenyl)methyl]phthalazin-1-one
SMILESC=Cc1cccc2c(=O)n(Cc3ccc(OC)cc3)ncc12
InChIInChI=1S/C18H16N2O2/c1-3-14-5-4-6-16-17(14)11-19-20(18(16)21)12-13-7-9-15(22-2)10-8-13/h3-11H,1,12H2,2H3
InChIKeyZJCCJQDITUPSTN-UHFFFAOYSA-N
XLogP3.10
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-5-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]phthalazin-1-one
CID 165392792
10-[(4-methoxyphenyl)methyl]-4-methyl-7-prop-2-enyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 16670164
5-chloro-2-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one
CID 50904431
5-bromo-2-[(4-methoxyphenyl)methyl]-4-(methylamino)pyridazin-3-one
CID 46930441
5-(4-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)-6-oxopyridazine-4-carbaldehyde
CID 53234179
5-(dimethylamino)-4-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
CID 174354466
ethyl 2-[3-ethenyl-5-[(4-methoxyphenyl)methyl]-4-oxopyrazolo[3,4-d]pyridazin-1-yl]acetate
CID 165393057
7-hydroxy-3-[(4-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one
CID 162683757
3-bromo-5-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyridazin-4-one
CID 165392556
4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde
CID 136922670
5-but-3-en-2-yl-1-[(4-methoxyphenyl)methyl]pyrazol-4-ol
CID 177454351
4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 90391274

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-[(4-methoxyphenyl)methyl]phthalazin-1-one?
The IUPAC name of 5-ethenyl-2-[(4-methoxyphenyl)methyl]phthalazin-1-one (CID 165393026) is 5-ethenyl-2-[(4-methoxyphenyl)methyl]phthalazin-1-one.
What is the SMILES notation for 5-ethenyl-2-[(4-methoxyphenyl)methyl]phthalazin-1-one?
The canonical SMILES for 5-ethenyl-2-[(4-methoxyphenyl)methyl]phthalazin-1-one is C=Cc1cccc2c(=O)n(Cc3ccc(OC)cc3)ncc12.
What is the InChIKey of 5-ethenyl-2-[(4-methoxyphenyl)methyl]phthalazin-1-one?
The InChIKey is ZJCCJQDITUPSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-3-14-5-4-6-16-17(14)11-19-20(18(16)21)12-13-7-9-15(22-2)10-8-13/h3-11H,1,12H2,2H3.
What are the key properties of 5-ethenyl-2-[(4-methoxyphenyl)methyl]phthalazin-1-one?
5-ethenyl-2-[(4-methoxyphenyl)methyl]phthalazin-1-one has a molecular weight of 292.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-[(4-methoxyphenyl)methyl]phthalazin-1-one is sourced from PubChem (CID 165393026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).