6-(4-fluorophenyl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one

C22H18FN3O3 — CID 25019685

IUPAC6-(4-fluorophenyl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one
SMILESCOc1ccc2c(OCCn3nc(-c4ccc(F)cc4)ccc3=O)ccnc2c1
InChIInChI=1S/C22H18FN3O3/c1-28-17-6-7-18-20(14-17)24-11-10-21(18)29-13-12-26-22(27)9-8-19(25-26)15-2-4-16(23)5-3-15/h2-11,14H,12-13H2,1H3
InChIKeyAEWDLXUAHPHIPM-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.69
Rot. Bonds6

About 6-(4-fluorophenyl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one

6-(4-fluorophenyl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one (PubChem CID 25019685) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one
PubChem CID25019685
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC Name6-(4-fluorophenyl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one
SMILESCOc1ccc2c(OCCn3nc(-c4ccc(F)cc4)ccc3=O)ccnc2c1
InChIInChI=1S/C22H18FN3O3/c1-28-17-6-7-18-20(14-17)24-11-10-21(18)29-13-12-26-22(27)9-8-19(25-26)15-2-4-16(23)5-3-15/h2-11,14H,12-13H2,1H3
InChIKeyAEWDLXUAHPHIPM-UHFFFAOYSA-N
XLogP3.69
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one (CID 25019685) is 6-(4-fluorophenyl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one is COc1ccc2c(OCCn3nc(-c4ccc(F)cc4)ccc3=O)ccnc2c1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one?
The InChIKey is AEWDLXUAHPHIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3/c1-28-17-6-7-18-20(14-17)24-11-10-21(18)29-13-12-26-22(27)9-8-19(25-26)15-2-4-16(23)5-3-15/h2-11,14H,12-13H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one?
6-(4-fluorophenyl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one has a molecular weight of 391.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one is sourced from PubChem (CID 25019685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).