4-chloro-2-(3,5-dimethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridazin-3-one

C18H23ClN4O2 — CID 117094760

IUPAC4-chloro-2-(3,5-dimethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridazin-3-one
SMILESCc1cc(C)cc(-n2ncc(NCCN3CCOCC3)c(Cl)c2=O)c1
InChIInChI=1S/C18H23ClN4O2/c1-13-9-14(2)11-15(10-13)23-18(24)17(19)16(12-21-23)20-3-4-22-5-7-25-8-6-22/h9-12,20H,3-8H2,1-2H3
InChIKeyNIHVVAYWHTUYRX-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.25
Rot. Bonds5

About 4-chloro-2-(3,5-dimethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridazin-3-one

4-chloro-2-(3,5-dimethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridazin-3-one (PubChem CID 117094760) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 4-chloro-2-(3,5-dimethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(3,5-dimethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridazin-3-one
PubChem CID117094760
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name4-chloro-2-(3,5-dimethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridazin-3-one
SMILESCc1cc(C)cc(-n2ncc(NCCN3CCOCC3)c(Cl)c2=O)c1
InChIInChI=1S/C18H23ClN4O2/c1-13-9-14(2)11-15(10-13)23-18(24)17(19)16(12-21-23)20-3-4-22-5-7-25-8-6-22/h9-12,20H,3-8H2,1-2H3
InChIKeyNIHVVAYWHTUYRX-UHFFFAOYSA-N
XLogP2.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,5-dimethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(3,5-dimethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridazin-3-one (CID 117094760) is 4-chloro-2-(3,5-dimethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(3,5-dimethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(3,5-dimethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridazin-3-one is Cc1cc(C)cc(-n2ncc(NCCN3CCOCC3)c(Cl)c2=O)c1.
What is the InChIKey of 4-chloro-2-(3,5-dimethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridazin-3-one?
The InChIKey is NIHVVAYWHTUYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-13-9-14(2)11-15(10-13)23-18(24)17(19)16(12-21-23)20-3-4-22-5-7-25-8-6-22/h9-12,20H,3-8H2,1-2H3.
What are the key properties of 4-chloro-2-(3,5-dimethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridazin-3-one?
4-chloro-2-(3,5-dimethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridazin-3-one has a molecular weight of 362.86 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,5-dimethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridazin-3-one is sourced from PubChem (CID 117094760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).