4-(5-methoxythiophen-2-yl)-2H-phthalazin-1-one

C13H10N2O2S — CID 11777276

IUPAC4-(5-methoxythiophen-2-yl)-2H-phthalazin-1-one
SMILESCOc1ccc(-c2n[nH]c(=O)c3ccccc23)s1
InChIInChI=1S/C13H10N2O2S/c1-17-11-7-6-10(18-11)12-8-4-2-3-5-9(8)13(16)15-14-12/h2-7H,1H3,(H,15,16)
InChIKeyFJYDZWAWPLRHKM-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.66
Rot. Bonds2

About 4-(5-methoxythiophen-2-yl)-2H-phthalazin-1-one

4-(5-methoxythiophen-2-yl)-2H-phthalazin-1-one (PubChem CID 11777276) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-(5-methoxythiophen-2-yl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(5-methoxythiophen-2-yl)-2H-phthalazin-1-one
PubChem CID11777276
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name4-(5-methoxythiophen-2-yl)-2H-phthalazin-1-one
SMILESCOc1ccc(-c2n[nH]c(=O)c3ccccc23)s1
InChIInChI=1S/C13H10N2O2S/c1-17-11-7-6-10(18-11)12-8-4-2-3-5-9(8)13(16)15-14-12/h2-7H,1H3,(H,15,16)
InChIKeyFJYDZWAWPLRHKM-UHFFFAOYSA-N
XLogP2.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-methoxythiophen-2-yl)-2H-phthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-oxo-3H-phthalazin-1-yl)thiophene-2-carboxylic acid
CID 10333419
4-[5-(1-aminoethyl)thiophen-2-yl]-2H-phthalazin-1-one
CID 82036637
4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one
CID 83046007
4-(5-methyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one
CID 121012576
4-(4,5-dimethyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one
CID 57409199
4-phenyl-2H-phthalazin-1-one;hydrate
CID 51057017
4-(5-bromo-4-chlorothiophen-2-yl)-2H-phthalazin-1-one
CID 80531959
4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one
CID 106518613
4-(2-bromo-4-methoxyphenyl)-2H-phthalazin-1-one
CID 60787131
4-(5-bromo-2-methoxy-4-methylphenyl)-2H-phthalazin-1-one
CID 65432773
silver 4-oxo-3H-phthalazin-1-olate
CID 90482828
4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one
CID 110187221

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxythiophen-2-yl)-2H-phthalazin-1-one?
The IUPAC name of 4-(5-methoxythiophen-2-yl)-2H-phthalazin-1-one (CID 11777276) is 4-(5-methoxythiophen-2-yl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(5-methoxythiophen-2-yl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(5-methoxythiophen-2-yl)-2H-phthalazin-1-one is COc1ccc(-c2n[nH]c(=O)c3ccccc23)s1.
What is the InChIKey of 4-(5-methoxythiophen-2-yl)-2H-phthalazin-1-one?
The InChIKey is FJYDZWAWPLRHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-17-11-7-6-10(18-11)12-8-4-2-3-5-9(8)13(16)15-14-12/h2-7H,1H3,(H,15,16).
What are the key properties of 4-(5-methoxythiophen-2-yl)-2H-phthalazin-1-one?
4-(5-methoxythiophen-2-yl)-2H-phthalazin-1-one has a molecular weight of 258.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxythiophen-2-yl)-2H-phthalazin-1-one is sourced from PubChem (CID 11777276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).