3-chloro-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine

C18H20ClN3O3 — CID 11210651

IUPAC3-chloro-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCCOc1ccc2nc(-c3ccc(OCCOC)cc3)c(Cl)n2n1
InChIInChI=1S/C18H20ClN3O3/c1-3-10-25-16-9-8-15-20-17(18(19)22(15)21-16)13-4-6-14(7-5-13)24-12-11-23-2/h4-9H,3,10-12H2,1-2H3
InChIKeyYUYNOVQGOONHNT-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.86
Rot. Bonds8

About 3-chloro-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine

3-chloro-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine (PubChem CID 11210651) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 3-chloro-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-chloro-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine
PubChem CID11210651
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name3-chloro-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCCOc1ccc2nc(-c3ccc(OCCOC)cc3)c(Cl)n2n1
InChIInChI=1S/C18H20ClN3O3/c1-3-10-25-16-9-8-15-20-17(18(19)22(15)21-16)13-4-6-14(7-5-13)24-12-11-23-2/h4-9H,3,10-12H2,1-2H3
InChIKeyYUYNOVQGOONHNT-UHFFFAOYSA-N
XLogP3.86
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine?
The IUPAC name of 3-chloro-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine (CID 11210651) is 3-chloro-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-chloro-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-chloro-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine is CCCOc1ccc2nc(-c3ccc(OCCOC)cc3)c(Cl)n2n1.
What is the InChIKey of 3-chloro-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine?
The InChIKey is YUYNOVQGOONHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-3-10-25-16-9-8-15-20-17(18(19)22(15)21-16)13-4-6-14(7-5-13)24-12-11-23-2/h4-9H,3,10-12H2,1-2H3.
What are the key properties of 3-chloro-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine?
3-chloro-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine has a molecular weight of 361.83 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[4-(2-methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine is sourced from PubChem (CID 11210651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).