3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one

C22H15ClN2O2 — CID 18440189

IUPAC3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(Cl)cc1)c1cc(Cc2ccc(=O)[nH]n2)cc2ccccc12
InChIInChI=1S/C22H15ClN2O2/c23-17-7-5-15(6-8-17)22(27)20-13-14(11-16-3-1-2-4-19(16)20)12-18-9-10-21(26)25-24-18/h1-11,13H,12H2,(H,25,26)
InChIKeyLPLXVRVTKRYEAV-UHFFFAOYSA-N
MW374.83 g/mol
LogP4.40
Rot. Bonds4

About 3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one

3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one (PubChem CID 18440189) has the molecular formula C22H15ClN2O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is 3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one
PubChem CID18440189
Molecular FormulaC22H15ClN2O2
Molecular Weight374.83 g/mol
Exact Mass374.08
IUPAC Name3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(Cl)cc1)c1cc(Cc2ccc(=O)[nH]n2)cc2ccccc12
InChIInChI=1S/C22H15ClN2O2/c23-17-7-5-15(6-8-17)22(27)20-13-14(11-16-3-1-2-4-19(16)20)12-18-9-10-21(26)25-24-18/h1-11,13H,12H2,(H,25,26)
InChIKeyLPLXVRVTKRYEAV-UHFFFAOYSA-N
XLogP4.40
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-benzoyl-4-methylphenyl)methyl]-1H-pyridazin-6-one
CID 18440178
3-[[3-chloro-5-(4-methoxybenzoyl)-1-methylpyrrol-2-yl]methyl]-1H-pyridazin-6-one
CID 67722117
3-[[3-chloro-5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]methyl]-1H-pyridazin-6-one
CID 67722064
4-(4-chlorobenzoyl)isochromen-1-one
CID 139052202
3-[[4-chloro-3-(2,4-dichlorophenoxy)phenyl]methyl]-1H-pyridazin-6-one
CID 18440207
4-(4-chlorobenzoyl)-1-ethylquinolin-2-one
CID 134910716
(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 71481457
3-(pyridin-3-ylmethyl)-1H-pyridazin-6-one
CID 106521313
3-bromo-4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzamide
CID 18440040
1-(4-benzoylnaphthalen-2-yl)ethanone
CID 11311862
(2,5-dichlorophenyl)-naphthalen-1-ylmethanone
CID 43167267
(7-bromo-2H-indazol-3-yl)-(4-chlorophenyl)methanone
CID 70874197

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one (CID 18440189) is 3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one is O=C(c1ccc(Cl)cc1)c1cc(Cc2ccc(=O)[nH]n2)cc2ccccc12.
What is the InChIKey of 3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one?
The InChIKey is LPLXVRVTKRYEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O2/c23-17-7-5-15(6-8-17)22(27)20-13-14(11-16-3-1-2-4-19(16)20)12-18-9-10-21(26)25-24-18/h1-11,13H,12H2,(H,25,26).
What are the key properties of 3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one?
3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one has a molecular weight of 374.83 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 18440189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).