2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]phthalazin-1-one

C19H20N2O4 — CID 15959116

IUPAC2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]phthalazin-1-one
SMILESCOc1cc(Cc2nn(C)c(=O)c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C19H20N2O4/c1-21-19(22)14-8-6-5-7-13(14)15(20-21)9-12-10-16(23-2)18(25-4)17(11-12)24-3/h5-8,10-11H,9H2,1-4H3
InChIKeyVQXNHOPNBXIUCU-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.55
Rot. Bonds5

About 2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]phthalazin-1-one

2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]phthalazin-1-one (PubChem CID 15959116) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]phthalazin-1-one.

Molecular Properties

Compound Name2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]phthalazin-1-one
PubChem CID15959116
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]phthalazin-1-one
SMILESCOc1cc(Cc2nn(C)c(=O)c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C19H20N2O4/c1-21-19(22)14-8-6-5-7-13(14)15(20-21)9-12-10-16(23-2)18(25-4)17(11-12)24-3/h5-8,10-11H,9H2,1-4H3
InChIKeyVQXNHOPNBXIUCU-UHFFFAOYSA-N
XLogP2.55
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]phthalazin-1-one?
The IUPAC name of 2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]phthalazin-1-one (CID 15959116) is 2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]phthalazin-1-one.
What is the SMILES notation for 2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]phthalazin-1-one?
The canonical SMILES for 2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]phthalazin-1-one is COc1cc(Cc2nn(C)c(=O)c3ccccc23)cc(OC)c1OC.
What is the InChIKey of 2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]phthalazin-1-one?
The InChIKey is VQXNHOPNBXIUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-21-19(22)14-8-6-5-7-13(14)15(20-21)9-12-10-16(23-2)18(25-4)17(11-12)24-3/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]phthalazin-1-one?
2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]phthalazin-1-one has a molecular weight of 340.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]phthalazin-1-one is sourced from PubChem (CID 15959116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).