3,4-dihydro-2H-quinolin-1-yl-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]methanone

C21H19FN4O — CID 109119452

IUPAC3,4-dihydro-2H-quinolin-1-yl-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]methanone
SMILESO=C(c1ccc(NCc2ccc(F)cc2)nn1)N1CCCc2ccccc21
InChIInChI=1S/C21H19FN4O/c22-17-9-7-15(8-10-17)14-23-20-12-11-18(24-25-20)21(27)26-13-3-5-16-4-1-2-6-19(16)26/h1-2,4,6-12H,3,5,13-14H2,(H,23,25)
InChIKeyPCSBVTVFMCBVBM-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.82
Rot. Bonds4

About 3,4-dihydro-2H-quinolin-1-yl-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]methanone (PubChem CID 109119452) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]methanone
PubChem CID109119452
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]methanone
SMILESO=C(c1ccc(NCc2ccc(F)cc2)nn1)N1CCCc2ccccc21
InChIInChI=1S/C21H19FN4O/c22-17-9-7-15(8-10-17)14-23-20-12-11-18(24-25-20)21(27)26-13-3-5-16-4-1-2-6-19(16)26/h1-2,4,6-12H,3,5,13-14H2,(H,23,25)
InChIKeyPCSBVTVFMCBVBM-UHFFFAOYSA-N
XLogP3.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)pyridazin-3-yl]methanone
CID 62172479
3,4-dihydro-2H-quinolin-1-yl-[2-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-4-yl]methanone
CID 109328663
3,4-dihydro-2H-quinolin-1-yl-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]methanone
CID 109115226
3,4-dihydro-2H-quinolin-1-yl-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]methanone
CID 109115568
2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone
CID 109118280
3,4-dihydro-2H-quinolin-1-yl-[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109347315
2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109192418
methyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109127494
[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111903
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 108975831
3,4-dihydro-2H-quinolin-1-yl-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109307503
3,4-dihydro-2H-quinolin-1-yl-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200410

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]methanone (CID 109119452) is 3,4-dihydro-2H-quinolin-1-yl-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]methanone is O=C(c1ccc(NCc2ccc(F)cc2)nn1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]methanone?
The InChIKey is PCSBVTVFMCBVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-17-9-7-15(8-10-17)14-23-20-12-11-18(24-25-20)21(27)26-13-3-5-16-4-1-2-6-19(16)26/h1-2,4,6-12H,3,5,13-14H2,(H,23,25).
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]methanone has a molecular weight of 362.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]methanone is sourced from PubChem (CID 109119452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).