4-chloro-2-(3-chloro-4-methylphenyl)-5-(3-ethoxypiperidin-1-yl)pyridazin-3-one

C18H21Cl2N3O2 — CID 47983005

IUPAC4-chloro-2-(3-chloro-4-methylphenyl)-5-(3-ethoxypiperidin-1-yl)pyridazin-3-one
SMILESCCOC1CCCN(c2cnn(-c3ccc(C)c(Cl)c3)c(=O)c2Cl)C1
InChIInChI=1S/C18H21Cl2N3O2/c1-3-25-14-5-4-8-22(11-14)16-10-21-23(18(24)17(16)20)13-7-6-12(2)15(19)9-13/h6-7,9-10,14H,3-5,8,11H2,1-2H3
InChIKeyVLOMNNJXCHDKTI-UHFFFAOYSA-N
MW382.29 g/mol
LogP3.85
Rot. Bonds4

About 4-chloro-2-(3-chloro-4-methylphenyl)-5-(3-ethoxypiperidin-1-yl)pyridazin-3-one

4-chloro-2-(3-chloro-4-methylphenyl)-5-(3-ethoxypiperidin-1-yl)pyridazin-3-one (PubChem CID 47983005) has the molecular formula C18H21Cl2N3O2 and a molecular weight of 382.29 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-4-methylphenyl)-5-(3-ethoxypiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-4-methylphenyl)-5-(3-ethoxypiperidin-1-yl)pyridazin-3-one
PubChem CID47983005
Molecular FormulaC18H21Cl2N3O2
Molecular Weight382.29 g/mol
Exact Mass381.10
IUPAC Name4-chloro-2-(3-chloro-4-methylphenyl)-5-(3-ethoxypiperidin-1-yl)pyridazin-3-one
SMILESCCOC1CCCN(c2cnn(-c3ccc(C)c(Cl)c3)c(=O)c2Cl)C1
InChIInChI=1S/C18H21Cl2N3O2/c1-3-25-14-5-4-8-22(11-14)16-10-21-23(18(24)17(16)20)13-7-6-12(2)15(19)9-13/h6-7,9-10,14H,3-5,8,11H2,1-2H3
InChIKeyVLOMNNJXCHDKTI-UHFFFAOYSA-N
XLogP3.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dichloro-2-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]pyridazin-3-one
CID 47983009
4-chloro-2-(3-chloro-4-methylphenyl)-5-(4-propanoylpiperazin-1-yl)pyridazin-3-one
CID 133285358
4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one
CID 133271354
4-chloro-2-(3-chloro-4-methylphenyl)-5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyridazin-3-one
CID 133384531
1-[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 78899214
4-chloro-2-phenyl-5-(3-prop-2-enoxypyrrolidin-1-yl)pyridazin-3-one
CID 133465286
N-[[1-[2-chloro-4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]piperidin-3-yl]methyl]acetamide
CID 133274900
N-[1-[2-chloro-4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]piperidin-3-yl]butanamide
CID 133354814
1-[3-chloro-2-(chloromethyl)phenyl]-3-ethoxypiperidine
CID 54989891
1-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]ethanol
CID 62910229
N-[[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 81143389
ethyl 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidine-4-carboxylate
CID 9280161

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-4-methylphenyl)-5-(3-ethoxypiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(3-chloro-4-methylphenyl)-5-(3-ethoxypiperidin-1-yl)pyridazin-3-one (CID 47983005) is 4-chloro-2-(3-chloro-4-methylphenyl)-5-(3-ethoxypiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(3-chloro-4-methylphenyl)-5-(3-ethoxypiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(3-chloro-4-methylphenyl)-5-(3-ethoxypiperidin-1-yl)pyridazin-3-one is CCOC1CCCN(c2cnn(-c3ccc(C)c(Cl)c3)c(=O)c2Cl)C1.
What is the InChIKey of 4-chloro-2-(3-chloro-4-methylphenyl)-5-(3-ethoxypiperidin-1-yl)pyridazin-3-one?
The InChIKey is VLOMNNJXCHDKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O2/c1-3-25-14-5-4-8-22(11-14)16-10-21-23(18(24)17(16)20)13-7-6-12(2)15(19)9-13/h6-7,9-10,14H,3-5,8,11H2,1-2H3.
What are the key properties of 4-chloro-2-(3-chloro-4-methylphenyl)-5-(3-ethoxypiperidin-1-yl)pyridazin-3-one?
4-chloro-2-(3-chloro-4-methylphenyl)-5-(3-ethoxypiperidin-1-yl)pyridazin-3-one has a molecular weight of 382.29 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloro-4-methylphenyl)-5-(3-ethoxypiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 47983005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).