4-benzyl-5-methoxy-2H-phthalazin-1-one

C16H14N2O2 — CID 58763958

IUPAC4-benzyl-5-methoxy-2H-phthalazin-1-one
SMILESCOc1cccc2c(=O)[nH]nc(Cc3ccccc3)c12
InChIInChI=1S/C16H14N2O2/c1-20-14-9-5-8-12-15(14)13(17-18-16(12)19)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,18,19)
InChIKeyMOBIZAMFDLYLMP-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.52
Rot. Bonds3

About 4-benzyl-5-methoxy-2H-phthalazin-1-one

4-benzyl-5-methoxy-2H-phthalazin-1-one (PubChem CID 58763958) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-benzyl-5-methoxy-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-benzyl-5-methoxy-2H-phthalazin-1-one
PubChem CID58763958
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-benzyl-5-methoxy-2H-phthalazin-1-one
SMILESCOc1cccc2c(=O)[nH]nc(Cc3ccccc3)c12
InChIInChI=1S/C16H14N2O2/c1-20-14-9-5-8-12-15(14)13(17-18-16(12)19)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,18,19)
InChIKeyMOBIZAMFDLYLMP-UHFFFAOYSA-N
XLogP2.52
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzyl-3-(2-methoxyphenyl)-1H-1,2,4-triazin-6-one
CID 22585567
7-benzyl-3-methyl-2,5-dihydropyrazolo[3,4-d]pyridazin-4-one
CID 6399191
3-benzyl-4,5-dichloro-1H-pyridazin-6-one
CID 70432485
4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one
CID 82371112
2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734356
4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one
CID 11821543
[6-[2-fluoro-5-[(8-methoxy-4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-1-oxa-6-azaspiro[2.5]octan-4-yl] acetate
CID 177246405
6-[(2,3-dimethoxyphenyl)methyl]-2H-1,2,4-triazine-3,5-dione
CID 82554305
4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one
CID 15358728
4-(hydroxymethyl)-2H-phthalazin-1-one
CID 12649892
tert-butyl N-[3-[(6,7-dimethoxy-4-oxo-3H-phthalazin-1-yl)methyl]phenyl]carbamate
CID 157040041
4-[[4-[methyl(sulfamoyl)amino]phenyl]methyl]-1-oxo-2H-phthalazine
CID 157040103

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-methoxy-2H-phthalazin-1-one?
The IUPAC name of 4-benzyl-5-methoxy-2H-phthalazin-1-one (CID 58763958) is 4-benzyl-5-methoxy-2H-phthalazin-1-one.
What is the SMILES notation for 4-benzyl-5-methoxy-2H-phthalazin-1-one?
The canonical SMILES for 4-benzyl-5-methoxy-2H-phthalazin-1-one is COc1cccc2c(=O)[nH]nc(Cc3ccccc3)c12.
What is the InChIKey of 4-benzyl-5-methoxy-2H-phthalazin-1-one?
The InChIKey is MOBIZAMFDLYLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-14-9-5-8-12-15(14)13(17-18-16(12)19)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 4-benzyl-5-methoxy-2H-phthalazin-1-one?
4-benzyl-5-methoxy-2H-phthalazin-1-one has a molecular weight of 266.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-methoxy-2H-phthalazin-1-one is sourced from PubChem (CID 58763958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).