ethyl 6-chloro-2-(8-fluoro-3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylate

C18H13ClFN5O2 — CID 89419992

IUPACethyl 6-chloro-2-(8-fluoro-3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylate
SMILESCCOC(=O)c1cc(Cl)nn2cc(-c3nc4c(F)cccc4nc3C)nc12
InChIInChI=1S/C18H13ClFN5O2/c1-3-27-18(26)10-7-14(19)24-25-8-13(22-17(10)25)15-9(2)21-12-6-4-5-11(20)16(12)23-15/h4-8H,3H2,1-2H3
InChIKeyUIKXHQAEGOPRPJ-UHFFFAOYSA-N
MW385.79 g/mol
LogP3.62
Rot. Bonds3

About ethyl 6-chloro-2-(8-fluoro-3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylate

ethyl 6-chloro-2-(8-fluoro-3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylate (PubChem CID 89419992) has the molecular formula C18H13ClFN5O2 and a molecular weight of 385.79 g/mol. Its IUPAC name is ethyl 6-chloro-2-(8-fluoro-3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-2-(8-fluoro-3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylate
PubChem CID89419992
Molecular FormulaC18H13ClFN5O2
Molecular Weight385.79 g/mol
Exact Mass385.07
IUPAC Nameethyl 6-chloro-2-(8-fluoro-3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylate
SMILESCCOC(=O)c1cc(Cl)nn2cc(-c3nc4c(F)cccc4nc3C)nc12
InChIInChI=1S/C18H13ClFN5O2/c1-3-27-18(26)10-7-14(19)24-25-8-13(22-17(10)25)15-9(2)21-12-6-4-5-11(20)16(12)23-15/h4-8H,3H2,1-2H3
InChIKeyUIKXHQAEGOPRPJ-UHFFFAOYSA-N
XLogP3.62
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.79
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-2-(8-fluoro-3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylate?
The IUPAC name of ethyl 6-chloro-2-(8-fluoro-3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylate (CID 89419992) is ethyl 6-chloro-2-(8-fluoro-3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylate.
What is the SMILES notation for ethyl 6-chloro-2-(8-fluoro-3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylate?
The canonical SMILES for ethyl 6-chloro-2-(8-fluoro-3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylate is CCOC(=O)c1cc(Cl)nn2cc(-c3nc4c(F)cccc4nc3C)nc12.
What is the InChIKey of ethyl 6-chloro-2-(8-fluoro-3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylate?
The InChIKey is UIKXHQAEGOPRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5O2/c1-3-27-18(26)10-7-14(19)24-25-8-13(22-17(10)25)15-9(2)21-12-6-4-5-11(20)16(12)23-15/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 6-chloro-2-(8-fluoro-3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylate?
ethyl 6-chloro-2-(8-fluoro-3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylate has a molecular weight of 385.79 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-2-(8-fluoro-3-methylquinoxalin-2-yl)imidazo[1,2-b]pyridazine-8-carboxylate is sourced from PubChem (CID 89419992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).