4-chloro-5-(oxan-3-ylmethylamino)-2-[4-(oxolan-2-yl)phenyl]pyridazin-3-one

C20H24ClN3O3 — CID 168963578

IUPAC4-chloro-5-(oxan-3-ylmethylamino)-2-[4-(oxolan-2-yl)phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(NCC2CCCOC2)cnn1-c1ccc(C2CCCO2)cc1
InChIInChI=1S/C20H24ClN3O3/c21-19-17(22-11-14-3-1-9-26-13-14)12-23-24(20(19)25)16-7-5-15(6-8-16)18-4-2-10-27-18/h5-8,12,14,18,22H,1-4,9-11,13H2
InChIKeyKUQIXYWTZLVRDW-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.58
Rot. Bonds5

About 4-chloro-5-(oxan-3-ylmethylamino)-2-[4-(oxolan-2-yl)phenyl]pyridazin-3-one

4-chloro-5-(oxan-3-ylmethylamino)-2-[4-(oxolan-2-yl)phenyl]pyridazin-3-one (PubChem CID 168963578) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 4-chloro-5-(oxan-3-ylmethylamino)-2-[4-(oxolan-2-yl)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(oxan-3-ylmethylamino)-2-[4-(oxolan-2-yl)phenyl]pyridazin-3-one
PubChem CID168963578
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name4-chloro-5-(oxan-3-ylmethylamino)-2-[4-(oxolan-2-yl)phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(NCC2CCCOC2)cnn1-c1ccc(C2CCCO2)cc1
InChIInChI=1S/C20H24ClN3O3/c21-19-17(22-11-14-3-1-9-26-13-14)12-23-24(20(19)25)16-7-5-15(6-8-16)18-4-2-10-27-18/h5-8,12,14,18,22H,1-4,9-11,13H2
InChIKeyKUQIXYWTZLVRDW-UHFFFAOYSA-N
XLogP3.58
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-5-(oxan-3-ylmethylamino)-2-[4-(oxolan-2-yl)phenyl]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-5-(oxan-3-ylmethylamino)-2-[4-(oxolan-2-yl)phenyl]pyridazin-3-one?
The IUPAC name of 4-chloro-5-(oxan-3-ylmethylamino)-2-[4-(oxolan-2-yl)phenyl]pyridazin-3-one (CID 168963578) is 4-chloro-5-(oxan-3-ylmethylamino)-2-[4-(oxolan-2-yl)phenyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(oxan-3-ylmethylamino)-2-[4-(oxolan-2-yl)phenyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(oxan-3-ylmethylamino)-2-[4-(oxolan-2-yl)phenyl]pyridazin-3-one is O=c1c(Cl)c(NCC2CCCOC2)cnn1-c1ccc(C2CCCO2)cc1.
What is the InChIKey of 4-chloro-5-(oxan-3-ylmethylamino)-2-[4-(oxolan-2-yl)phenyl]pyridazin-3-one?
The InChIKey is KUQIXYWTZLVRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c21-19-17(22-11-14-3-1-9-26-13-14)12-23-24(20(19)25)16-7-5-15(6-8-16)18-4-2-10-27-18/h5-8,12,14,18,22H,1-4,9-11,13H2.
What are the key properties of 4-chloro-5-(oxan-3-ylmethylamino)-2-[4-(oxolan-2-yl)phenyl]pyridazin-3-one?
4-chloro-5-(oxan-3-ylmethylamino)-2-[4-(oxolan-2-yl)phenyl]pyridazin-3-one has a molecular weight of 389.88 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(oxan-3-ylmethylamino)-2-[4-(oxolan-2-yl)phenyl]pyridazin-3-one is sourced from PubChem (CID 168963578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).