6-(6-fluoro-3-methoxyindol-1-yl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one

C25H21FN4O4 — CID 73387530

IUPAC6-(6-fluoro-3-methoxyindol-1-yl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one
SMILESCOc1ccc2c(OCCn3nc(-n4cc(OC)c5ccc(F)cc54)ccc3=O)ccnc2c1
InChIInChI=1S/C25H21FN4O4/c1-32-17-4-6-18-20(14-17)27-10-9-22(18)34-12-11-30-25(31)8-7-24(28-30)29-15-23(33-2)19-5-3-16(26)13-21(19)29/h3-10,13-15H,11-12H2,1-2H3
InChIKeyFAISLSWLSFAQPY-UHFFFAOYSA-N
MW460.47 g/mol
LogP3.97
Rot. Bonds7

About 6-(6-fluoro-3-methoxyindol-1-yl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one

6-(6-fluoro-3-methoxyindol-1-yl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one (PubChem CID 73387530) has the molecular formula C25H21FN4O4 and a molecular weight of 460.47 g/mol. Its IUPAC name is 6-(6-fluoro-3-methoxyindol-1-yl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(6-fluoro-3-methoxyindol-1-yl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one
PubChem CID73387530
Molecular FormulaC25H21FN4O4
Molecular Weight460.47 g/mol
Exact Mass460.15
IUPAC Name6-(6-fluoro-3-methoxyindol-1-yl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one
SMILESCOc1ccc2c(OCCn3nc(-n4cc(OC)c5ccc(F)cc54)ccc3=O)ccnc2c1
InChIInChI=1S/C25H21FN4O4/c1-32-17-4-6-18-20(14-17)27-10-9-22(18)34-12-11-30-25(31)8-7-24(28-30)29-15-23(33-2)19-5-3-16(26)13-21(19)29/h3-10,13-15H,11-12H2,1-2H3
InChIKeyFAISLSWLSFAQPY-UHFFFAOYSA-N
XLogP3.97
TPSA80.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-3-methoxyindol-1-yl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one?
The IUPAC name of 6-(6-fluoro-3-methoxyindol-1-yl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one (CID 73387530) is 6-(6-fluoro-3-methoxyindol-1-yl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one.
What is the SMILES notation for 6-(6-fluoro-3-methoxyindol-1-yl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one?
The canonical SMILES for 6-(6-fluoro-3-methoxyindol-1-yl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one is COc1ccc2c(OCCn3nc(-n4cc(OC)c5ccc(F)cc54)ccc3=O)ccnc2c1.
What is the InChIKey of 6-(6-fluoro-3-methoxyindol-1-yl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one?
The InChIKey is FAISLSWLSFAQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O4/c1-32-17-4-6-18-20(14-17)27-10-9-22(18)34-12-11-30-25(31)8-7-24(28-30)29-15-23(33-2)19-5-3-16(26)13-21(19)29/h3-10,13-15H,11-12H2,1-2H3.
What are the key properties of 6-(6-fluoro-3-methoxyindol-1-yl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one?
6-(6-fluoro-3-methoxyindol-1-yl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one has a molecular weight of 460.47 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-3-methoxyindol-1-yl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one is sourced from PubChem (CID 73387530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).