(4-methoxyphenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone

C18H18N2O2 — CID 1484235

IUPAC(4-methoxyphenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3ccccc3)=N2)cc1
InChIInChI=1S/C18H18N2O2/c1-22-16-11-9-15(10-12-16)18(21)20-13-5-8-17(19-20)14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3
InChIKeyVZENNTIMTHUAKA-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.34
Rot. Bonds3

About (4-methoxyphenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone

(4-methoxyphenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone (PubChem CID 1484235) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (4-methoxyphenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
PubChem CID1484235
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(4-methoxyphenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3ccccc3)=N2)cc1
InChIInChI=1S/C18H18N2O2/c1-22-16-11-9-15(10-12-16)18(21)20-13-5-8-17(19-20)14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3
InChIKeyVZENNTIMTHUAKA-UHFFFAOYSA-N
XLogP3.34
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone (CID 1484235) is (4-methoxyphenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone is COc1ccc(C(=O)N2CCCC(c3ccccc3)=N2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The InChIKey is VZENNTIMTHUAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-16-11-9-15(10-12-16)18(21)20-13-5-8-17(19-20)14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3.
What are the key properties of (4-methoxyphenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
(4-methoxyphenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone has a molecular weight of 294.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone is sourced from PubChem (CID 1484235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).