2-[(4-fluorophenyl)methyl]-6-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one

C22H20FN3O2 — CID 27376594

IUPAC2-[(4-fluorophenyl)methyl]-6-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one
SMILESCc1ccc2c(c1)CCCN2C(=O)c1ccc(=O)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C22H20FN3O2/c1-15-4-10-20-17(13-15)3-2-12-25(20)22(28)19-9-11-21(27)26(24-19)14-16-5-7-18(23)8-6-16/h4-11,13H,2-3,12,14H2,1H3
InChIKeyDAAPQMKUXCGARN-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.33
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-6-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one

2-[(4-fluorophenyl)methyl]-6-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one (PubChem CID 27376594) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one
PubChem CID27376594
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name2-[(4-fluorophenyl)methyl]-6-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one
SMILESCc1ccc2c(c1)CCCN2C(=O)c1ccc(=O)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C22H20FN3O2/c1-15-4-10-20-17(13-15)3-2-12-25(20)22(28)19-9-11-21(27)26(24-19)14-16-5-7-18(23)8-6-16/h4-11,13H,2-3,12,14H2,1H3
InChIKeyDAAPQMKUXCGARN-UHFFFAOYSA-N
XLogP3.33
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one (CID 27376594) is 2-[(4-fluorophenyl)methyl]-6-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one is Cc1ccc2c(c1)CCCN2C(=O)c1ccc(=O)n(Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one?
The InChIKey is DAAPQMKUXCGARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-15-4-10-20-17(13-15)3-2-12-25(20)22(28)19-9-11-21(27)26(24-19)14-16-5-7-18(23)8-6-16/h4-11,13H,2-3,12,14H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-6-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one?
2-[(4-fluorophenyl)methyl]-6-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one has a molecular weight of 377.42 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 27376594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).