4-(cyclohexanecarbonyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one

C20H24N2O4 — CID 151858401

IUPAC4-(cyclohexanecarbonyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one
SMILESCOc1ccc(-n2nc(C)cc(C(=O)C3CCCCC3)c2=O)cc1OC
InChIInChI=1S/C20H24N2O4/c1-13-11-16(19(23)14-7-5-4-6-8-14)20(24)22(21-13)15-9-10-17(25-2)18(12-15)26-3/h9-12,14H,4-8H2,1-3H3
InChIKeySKEJHCSRWCLPBZ-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.32
Rot. Bonds5

About 4-(cyclohexanecarbonyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one

4-(cyclohexanecarbonyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one (PubChem CID 151858401) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-(cyclohexanecarbonyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name4-(cyclohexanecarbonyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one
PubChem CID151858401
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name4-(cyclohexanecarbonyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one
SMILESCOc1ccc(-n2nc(C)cc(C(=O)C3CCCCC3)c2=O)cc1OC
InChIInChI=1S/C20H24N2O4/c1-13-11-16(19(23)14-7-5-4-6-8-14)20(24)22(21-13)15-9-10-17(25-2)18(12-15)26-3/h9-12,14H,4-8H2,1-3H3
InChIKeySKEJHCSRWCLPBZ-UHFFFAOYSA-N
XLogP3.32
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one?
The IUPAC name of 4-(cyclohexanecarbonyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one (CID 151858401) is 4-(cyclohexanecarbonyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 4-(cyclohexanecarbonyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one?
The canonical SMILES for 4-(cyclohexanecarbonyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one is COc1ccc(-n2nc(C)cc(C(=O)C3CCCCC3)c2=O)cc1OC.
What is the InChIKey of 4-(cyclohexanecarbonyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one?
The InChIKey is SKEJHCSRWCLPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13-11-16(19(23)14-7-5-4-6-8-14)20(24)22(21-13)15-9-10-17(25-2)18(12-15)26-3/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 4-(cyclohexanecarbonyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one?
4-(cyclohexanecarbonyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one has a molecular weight of 356.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one is sourced from PubChem (CID 151858401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).