7,8-dimethoxy-2H-phthalazin-1-one

C10H10N2O3 — CID 663985

IUPAC7,8-dimethoxy-2H-phthalazin-1-one
SMILESCOc1ccc2cn[nH]c(=O)c2c1OC
InChIInChI=1S/C10H10N2O3/c1-14-7-4-3-6-5-11-12-10(13)8(6)9(7)15-2/h3-5H,1-2H3,(H,12,13)
InChIKeyRMKSXDYWMIAVBW-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.94
Rot. Bonds2

About 7,8-dimethoxy-2H-phthalazin-1-one

7,8-dimethoxy-2H-phthalazin-1-one (PubChem CID 663985) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 7,8-dimethoxy-2H-phthalazin-1-one.

Molecular Properties

Compound Name7,8-dimethoxy-2H-phthalazin-1-one
PubChem CID663985
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name7,8-dimethoxy-2H-phthalazin-1-one
SMILESCOc1ccc2cn[nH]c(=O)c2c1OC
InChIInChI=1S/C10H10N2O3/c1-14-7-4-3-6-5-11-12-10(13)8(6)9(7)15-2/h3-5H,1-2H3,(H,12,13)
InChIKeyRMKSXDYWMIAVBW-UHFFFAOYSA-N
XLogP0.94
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-Dimethoxy-N'-(2-methyl-3-phenyl-2-propenylidene)benzohydrazide
CID 5411894
Benzoic (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135437609
2-[(E)-{2-[(3,4-dimethoxyphenyl)carbonyl]hydrazinylidene}methyl]benzoic acid
CID 6906996
N'-(2,3-dimethoxybenzylidene)-1-naphthohydrazide
CID 6874153
2'-(1,3-Benzodioxol-5-ylmethylene)-2-methoxybenzohydrazide
CID 9651842
N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-3,4-dimethoxybenzamide
CID 9667720
7,8-dimethoxy-2-(2-phenoxyethyl)phthalazin-1(2H)-one
CID 661377
4-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one
CID 749966
1-(2-Hydroxybenzoyl)-2-(2-hydroxy-3-methoxybenzal)hydrazine
CID 438716
4-(3,4-dimethoxyphenyl)-2H-phthalazin-1-one
CID 9970995
2-Benzyl-7,8-dimethoxyphthalazin-1-one
CID 659546
2-[2-(2-ethoxyphenoxy)ethyl]-7,8-dimethoxyphthalazin-1(2H)-one
CID 1829152

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-2H-phthalazin-1-one?
The IUPAC name of 7,8-dimethoxy-2H-phthalazin-1-one (CID 663985) is 7,8-dimethoxy-2H-phthalazin-1-one.
What is the SMILES notation for 7,8-dimethoxy-2H-phthalazin-1-one?
The canonical SMILES for 7,8-dimethoxy-2H-phthalazin-1-one is COc1ccc2cn[nH]c(=O)c2c1OC.
What is the InChIKey of 7,8-dimethoxy-2H-phthalazin-1-one?
The InChIKey is RMKSXDYWMIAVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-14-7-4-3-6-5-11-12-10(13)8(6)9(7)15-2/h3-5H,1-2H3,(H,12,13).
What are the key properties of 7,8-dimethoxy-2H-phthalazin-1-one?
7,8-dimethoxy-2H-phthalazin-1-one has a molecular weight of 206.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-2H-phthalazin-1-one is sourced from PubChem (CID 663985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).