2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(5-methyl-2-pyridinyl)pyridazin-3-one

C22H20N4O3 — CID 25016081

IUPAC2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(5-methyl-2-pyridinyl)pyridazin-3-one
SMILESCOc1ccc2c(OCCn3nc(-c4ccc(C)cn4)ccc3=O)ccnc2c1
InChIInChI=1S/C22H20N4O3/c1-15-3-6-18(24-14-15)19-7-8-22(27)26(25-19)11-12-29-21-9-10-23-20-13-16(28-2)4-5-17(20)21/h3-10,13-14H,11-12H2,1-2H3
InChIKeyNYZJBQNYYNMXHS-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.25
Rot. Bonds6

About 2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(5-methyl-2-pyridinyl)pyridazin-3-one

2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(5-methyl-2-pyridinyl)pyridazin-3-one (PubChem CID 25016081) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(5-methyl-2-pyridinyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(5-methyl-2-pyridinyl)pyridazin-3-one
PubChem CID25016081
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(5-methyl-2-pyridinyl)pyridazin-3-one
SMILESCOc1ccc2c(OCCn3nc(-c4ccc(C)cn4)ccc3=O)ccnc2c1
InChIInChI=1S/C22H20N4O3/c1-15-3-6-18(24-14-15)19-7-8-22(27)26(25-19)11-12-29-21-9-10-23-20-13-16(28-2)4-5-17(20)21/h3-10,13-14H,11-12H2,1-2H3
InChIKeyNYZJBQNYYNMXHS-UHFFFAOYSA-N
XLogP3.25
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(5-methyl-2-pyridinyl)pyridazin-3-one?
The IUPAC name of 2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(5-methyl-2-pyridinyl)pyridazin-3-one (CID 25016081) is 2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(5-methyl-2-pyridinyl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(5-methyl-2-pyridinyl)pyridazin-3-one?
The canonical SMILES for 2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(5-methyl-2-pyridinyl)pyridazin-3-one is COc1ccc2c(OCCn3nc(-c4ccc(C)cn4)ccc3=O)ccnc2c1.
What is the InChIKey of 2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(5-methyl-2-pyridinyl)pyridazin-3-one?
The InChIKey is NYZJBQNYYNMXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-15-3-6-18(24-14-15)19-7-8-22(27)26(25-19)11-12-29-21-9-10-23-20-13-16(28-2)4-5-17(20)21/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(5-methyl-2-pyridinyl)pyridazin-3-one?
2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(5-methyl-2-pyridinyl)pyridazin-3-one has a molecular weight of 388.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(5-methyl-2-pyridinyl)pyridazin-3-one is sourced from PubChem (CID 25016081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).