4-chloro-2-ethyl-5-(1-naphthalen-2-ylethoxy)pyridazin-3-one

C18H17ClN2O2 — CID 70423573

IUPAC4-chloro-2-ethyl-5-(1-naphthalen-2-ylethoxy)pyridazin-3-one
SMILESCCn1ncc(OC(C)c2ccc3ccccc3c2)c(Cl)c1=O
InChIInChI=1S/C18H17ClN2O2/c1-3-21-18(22)17(19)16(11-20-21)23-12(2)14-9-8-13-6-4-5-7-15(13)10-14/h4-12H,3H2,1-2H3
InChIKeySXJJYMVCZXOMBT-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.21
Rot. Bonds4

About 4-chloro-2-ethyl-5-(1-naphthalen-2-ylethoxy)pyridazin-3-one

4-chloro-2-ethyl-5-(1-naphthalen-2-ylethoxy)pyridazin-3-one (PubChem CID 70423573) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-(1-naphthalen-2-ylethoxy)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-(1-naphthalen-2-ylethoxy)pyridazin-3-one
PubChem CID70423573
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name4-chloro-2-ethyl-5-(1-naphthalen-2-ylethoxy)pyridazin-3-one
SMILESCCn1ncc(OC(C)c2ccc3ccccc3c2)c(Cl)c1=O
InChIInChI=1S/C18H17ClN2O2/c1-3-21-18(22)17(19)16(11-20-21)23-12(2)14-9-8-13-6-4-5-7-15(13)10-14/h4-12H,3H2,1-2H3
InChIKeySXJJYMVCZXOMBT-UHFFFAOYSA-N
XLogP4.21
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-ethyl-5-(1-naphthalen-2-ylethoxy)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-(1-naphthalen-2-ylethoxy)pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-(1-naphthalen-2-ylethoxy)pyridazin-3-one (CID 70423573) is 4-chloro-2-ethyl-5-(1-naphthalen-2-ylethoxy)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-(1-naphthalen-2-ylethoxy)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-(1-naphthalen-2-ylethoxy)pyridazin-3-one is CCn1ncc(OC(C)c2ccc3ccccc3c2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-(1-naphthalen-2-ylethoxy)pyridazin-3-one?
The InChIKey is SXJJYMVCZXOMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-3-21-18(22)17(19)16(11-20-21)23-12(2)14-9-8-13-6-4-5-7-15(13)10-14/h4-12H,3H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-5-(1-naphthalen-2-ylethoxy)pyridazin-3-one?
4-chloro-2-ethyl-5-(1-naphthalen-2-ylethoxy)pyridazin-3-one has a molecular weight of 328.80 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-(1-naphthalen-2-ylethoxy)pyridazin-3-one is sourced from PubChem (CID 70423573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).