(4-chlorophenyl)-[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone

C18H17ClN2O2 — CID 10616299

IUPAC(4-chlorophenyl)-[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)CCC2)cc1
InChIInChI=1S/C18H17ClN2O2/c1-23-16-10-6-13(7-11-16)17-3-2-12-21(20-17)18(22)14-4-8-15(19)9-5-14/h4-11H,2-3,12H2,1H3
InChIKeyIHLPKCMECPZSEW-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.99
Rot. Bonds3

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

(4-chlorophenyl)-[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone (PubChem CID 10616299) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is (4-chlorophenyl)-[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone
PubChem CID10616299
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name(4-chlorophenyl)-[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)CCC2)cc1
InChIInChI=1S/C18H17ClN2O2/c1-23-16-10-6-13(7-11-16)17-3-2-12-21(20-17)18(22)14-4-8-15(19)9-5-14/h4-11H,2-3,12H2,1H3
InChIKeyIHLPKCMECPZSEW-UHFFFAOYSA-N
XLogP3.99
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone (CID 10616299) is (4-chlorophenyl)-[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone is COc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)CCC2)cc1.
What is the InChIKey of (4-chlorophenyl)-[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone?
The InChIKey is IHLPKCMECPZSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-23-16-10-6-13(7-11-16)17-3-2-12-21(20-17)18(22)14-4-8-15(19)9-5-14/h4-11H,2-3,12H2,1H3.
What are the key properties of (4-chlorophenyl)-[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone?
(4-chlorophenyl)-[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone has a molecular weight of 328.80 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone is sourced from PubChem (CID 10616299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).