2-ethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-one

C20H17N3OS — CID 110170191

IUPAC2-ethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-one
SMILESCCn1nc(-c2ccc(-c3ccc(C)cn3)s2)c2ccccc2c1=O
InChIInChI=1S/C20H17N3OS/c1-3-23-20(24)15-7-5-4-6-14(15)19(22-23)18-11-10-17(25-18)16-9-8-13(2)12-21-16/h4-12H,3H2,1-2H3
InChIKeyKGNWKWXZTFATNK-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.52
Rot. Bonds3

About 2-ethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-one

2-ethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-one (PubChem CID 110170191) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-ethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-one.

Molecular Properties

Compound Name2-ethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-one
PubChem CID110170191
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name2-ethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-one
SMILESCCn1nc(-c2ccc(-c3ccc(C)cn3)s2)c2ccccc2c1=O
InChIInChI=1S/C20H17N3OS/c1-3-23-20(24)15-7-5-4-6-14(15)19(22-23)18-11-10-17(25-18)16-9-8-13(2)12-21-16/h4-12H,3H2,1-2H3
InChIKeyKGNWKWXZTFATNK-UHFFFAOYSA-N
XLogP4.52
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-2-[4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-yl]phthalazin-1-one
CID 110170190
4-(aminomethyl)-2-ethylphthalazin-1-one
CID 819195
3-ethyl-4-oxophthalazine-1-carboxylate
CID 2388830
2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-4-thiophen-2-ylphthalazin-1-one
CID 46536203
4-[4-(3-ethyl-4-oxophthalazin-1-yl)phenoxy]butyl-triphenylphosphanium
CID 127045970
2-[3-(4-ethoxyphenoxy)-2-hydroxypropyl]-4-thiophen-2-ylphthalazin-1-one
CID 42942520
2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one
CID 24651279
4-benzyl-2-ethylphthalazin-1-one
CID 18336950
(2S)-2-(3-ethyl-4-oxophthalazin-1-yl)propanoate
CID 6944485
ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
CID 895376
4-(4-methylphenyl)-2-phenacylphthalazin-1-one
CID 22333322
2-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-4-(4-methylphenyl)phthalazin-1-one
CID 38955131

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-one?
The IUPAC name of 2-ethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-one (CID 110170191) is 2-ethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-one.
What is the SMILES notation for 2-ethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-one?
The canonical SMILES for 2-ethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-one is CCn1nc(-c2ccc(-c3ccc(C)cn3)s2)c2ccccc2c1=O.
What is the InChIKey of 2-ethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-one?
The InChIKey is KGNWKWXZTFATNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-3-23-20(24)15-7-5-4-6-14(15)19(22-23)18-11-10-17(25-18)16-9-8-13(2)12-21-16/h4-12H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-one?
2-ethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-one has a molecular weight of 347.44 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-one is sourced from PubChem (CID 110170191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).