6-(2-morpholin-4-ylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one

C24H22N4O2 — CID 175518278

IUPAC6-(2-morpholin-4-ylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2N2CCOCC2)nn1Cc1ccc2ncccc2c1
InChIInChI=1S/C24H22N4O2/c29-24-10-9-22(20-5-1-2-6-23(20)27-12-14-30-15-13-27)26-28(24)17-18-7-8-21-19(16-18)4-3-11-25-21/h1-11,16H,12-15,17H2
InChIKeyZXJUTCPZCWOUHH-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.34
Rot. Bonds4

About 6-(2-morpholin-4-ylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one

6-(2-morpholin-4-ylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one (PubChem CID 175518278) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 6-(2-morpholin-4-ylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(2-morpholin-4-ylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one
PubChem CID175518278
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name6-(2-morpholin-4-ylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2N2CCOCC2)nn1Cc1ccc2ncccc2c1
InChIInChI=1S/C24H22N4O2/c29-24-10-9-22(20-5-1-2-6-23(20)27-12-14-30-15-13-27)26-28(24)17-18-7-8-21-19(16-18)4-3-11-25-21/h1-11,16H,12-15,17H2
InChIKeyZXJUTCPZCWOUHH-UHFFFAOYSA-N
XLogP3.34
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-morpholin-4-ylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-(2-morpholin-4-ylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one (CID 175518278) is 6-(2-morpholin-4-ylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-(2-morpholin-4-ylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-(2-morpholin-4-ylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one is O=c1ccc(-c2ccccc2N2CCOCC2)nn1Cc1ccc2ncccc2c1.
What is the InChIKey of 6-(2-morpholin-4-ylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one?
The InChIKey is ZXJUTCPZCWOUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-24-10-9-22(20-5-1-2-6-23(20)27-12-14-30-15-13-27)26-28(24)17-18-7-8-21-19(16-18)4-3-11-25-21/h1-11,16H,12-15,17H2.
What are the key properties of 6-(2-morpholin-4-ylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one?
6-(2-morpholin-4-ylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one has a molecular weight of 398.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-ylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 175518278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).