methyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate

C22H20N4O3 — CID 109127494

IUPACmethyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(C(=O)N2CCCc3ccccc32)nn1
InChIInChI=1S/C22H20N4O3/c1-29-22(28)16-9-3-4-10-17(16)23-20-13-12-18(24-25-20)21(27)26-14-6-8-15-7-2-5-11-19(15)26/h2-5,7,9-13H,6,8,14H2,1H3,(H,23,25)
InChIKeyLJFZJJFAYJIYDL-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.60
Rot. Bonds4

About methyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate

methyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate (PubChem CID 109127494) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is methyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate
PubChem CID109127494
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Namemethyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(C(=O)N2CCCc3ccccc32)nn1
InChIInChI=1S/C22H20N4O3/c1-29-22(28)16-9-3-4-10-17(16)23-20-13-12-18(24-25-20)21(27)26-14-6-8-15-7-2-5-11-19(15)26/h2-5,7,9-13H,6,8,14H2,1H3,(H,23,25)
InChIKeyLJFZJJFAYJIYDL-UHFFFAOYSA-N
XLogP3.60
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109314656
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)pyridazin-3-yl]methanone
CID 62172479
2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone
CID 109127391
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
CID 31676778
3,4-dihydro-2H-quinolin-1-yl-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]methanone
CID 109115226
methyl 2-[[6-(3-methylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109126092
methyl 2-[[4-(2,3-dihydroindole-1-carbonyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109335497
3,4-dihydro-2H-quinolin-1-yl-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]methanone
CID 109115568
methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
CID 109034949
3,4-dihydro-2H-quinolin-1-yl-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200410
3,4-dihydro-2H-quinolin-1-yl-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]methanone
CID 109119452
3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone
CID 109356724

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate?
The IUPAC name of methyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate (CID 109127494) is methyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for methyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate?
The canonical SMILES for methyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate is COC(=O)c1ccccc1Nc1ccc(C(=O)N2CCCc3ccccc32)nn1.
What is the InChIKey of methyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate?
The InChIKey is LJFZJJFAYJIYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-29-22(28)16-9-3-4-10-17(16)23-20-13-12-18(24-25-20)21(27)26-14-6-8-15-7-2-5-11-19(15)26/h2-5,7,9-13H,6,8,14H2,1H3,(H,23,25).
What are the key properties of methyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate?
methyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate has a molecular weight of 388.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 109127494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).