2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one

C21H15ClN2O — CID 16831265

IUPAC2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one
SMILESO=c1ccc(-c2cccc3ccccc23)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN2O/c22-17-10-8-15(9-11-17)14-24-21(25)13-12-20(23-24)19-7-3-5-16-4-1-2-6-18(16)19/h1-13H,14H2
InChIKeyIJCHXZFBUYHGPO-UHFFFAOYSA-N
MW346.82 g/mol
LogP4.77
Rot. Bonds3

About 2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one

2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one (PubChem CID 16831265) has the molecular formula C21H15ClN2O and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one
PubChem CID16831265
Molecular FormulaC21H15ClN2O
Molecular Weight346.82 g/mol
Exact Mass346.09
IUPAC Name2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one
SMILESO=c1ccc(-c2cccc3ccccc23)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN2O/c22-17-10-8-15(9-11-17)14-24-21(25)13-12-20(23-24)19-7-3-5-16-4-1-2-6-18(16)19/h1-13H,14H2
InChIKeyIJCHXZFBUYHGPO-UHFFFAOYSA-N
XLogP4.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one (CID 16831265) is 2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one is O=c1ccc(-c2cccc3ccccc23)nn1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one?
The InChIKey is IJCHXZFBUYHGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O/c22-17-10-8-15(9-11-17)14-24-21(25)13-12-20(23-24)19-7-3-5-16-4-1-2-6-18(16)19/h1-13H,14H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one?
2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one has a molecular weight of 346.82 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one is sourced from PubChem (CID 16831265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).