6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one

C21H18FN3O3 — CID 8556763

IUPAC6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H18FN3O3/c1-28-18-13-19(26)25(16-10-8-15(22)9-11-16)23-20(18)21(27)24-12-4-6-14-5-2-3-7-17(14)24/h2-3,5,7-11,13H,4,6,12H2,1H3
InChIKeyMEYPHIIVVVRWRN-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.97
Rot. Bonds3

About 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one

6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one (PubChem CID 8556763) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one
PubChem CID8556763
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H18FN3O3/c1-28-18-13-19(26)25(16-10-8-15(22)9-11-16)23-20(18)21(27)24-12-4-6-14-5-2-3-7-17(14)24/h2-3,5,7-11,13H,4,6,12H2,1H3
InChIKeyMEYPHIIVVVRWRN-UHFFFAOYSA-N
XLogP2.97
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-1-(4-methylphenyl)-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 8556110
2-(4-fluorophenyl)-6-(4-(2-fluorophenyl)piperazine-1-carbonyl)-5-methoxypyridazin-3(2H)-one
CID 16825944
6-(4-fluorophenyl)-2-(4-(6-methyl-3,4-dihydroquinolin-1(2H)-yl)-4-oxobutyl)pyridazin-3(2H)-one
CID 16885007
6-(4-benzhydrylpiperazine-1-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3(2H)-one
CID 18568943
ethyl 4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxylate
CID 18571485
2-[(4-Fluorophenyl)methyl]-6-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbonyl)-2,3-dihydropyridazin-3-one
CID 27376594
Ethyl 4-[4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl]piperazine-1-carboxylate
CID 8554650
5-Methoxy-2-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 8555633
6-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-2-(p-tolyl)pyridazin-3(2H)-one
CID 18568923
N-(diphenylmethyl)-4-methoxy-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide
CID 26842143
6-[4-(2-Fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
CID 8549150
6-(4-(2-fluorophenyl)piperazine-1-carbonyl)-5-methoxy-2-(o-tolyl)pyridazin-3(2H)-one
CID 8549228

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one?
The IUPAC name of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one (CID 8556763) is 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one?
The canonical SMILES for 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one is COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one?
The InChIKey is MEYPHIIVVVRWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-28-18-13-19(26)25(16-10-8-15(22)9-11-16)23-20(18)21(27)24-12-4-6-14-5-2-3-7-17(14)24/h2-3,5,7-11,13H,4,6,12H2,1H3.
What are the key properties of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one?
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one has a molecular weight of 379.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one is sourced from PubChem (CID 8556763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).