methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate

C22H17N5O3 — CID 109129923

IUPACmethyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(C(=O)Nc2cccc3cccnc23)nn1
InChIInChI=1S/C22H17N5O3/c1-30-22(29)15-8-2-3-9-16(15)24-19-12-11-18(26-27-19)21(28)25-17-10-4-6-14-7-5-13-23-20(14)17/h2-13H,1H3,(H,24,27)(H,25,28)
InChIKeyHOYDFFRKLCIGCT-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.81
Rot. Bonds5

About methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate

methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate (PubChem CID 109129923) has the molecular formula C22H17N5O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate
PubChem CID109129923
Molecular FormulaC22H17N5O3
Molecular Weight399.41 g/mol
Exact Mass399.13
IUPAC Namemethyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(C(=O)Nc2cccc3cccnc23)nn1
InChIInChI=1S/C22H17N5O3/c1-30-22(29)15-8-2-3-9-16(15)24-19-12-11-18(26-27-19)21(28)25-17-10-4-6-14-7-5-13-23-20(14)17/h2-13H,1H3,(H,24,27)(H,25,28)
InChIKeyHOYDFFRKLCIGCT-UHFFFAOYSA-N
XLogP3.81
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109127790
N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109129475
N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109129615
6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109120046
methyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128709
methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128007
N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109128991
5-(2-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109199751
N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109111701
N-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109115481
6-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109119872
methyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate
CID 109129945

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate?
The IUPAC name of methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate (CID 109129923) is methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate?
The canonical SMILES for methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate is COC(=O)c1ccccc1Nc1ccc(C(=O)Nc2cccc3cccnc23)nn1.
What is the InChIKey of methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate?
The InChIKey is HOYDFFRKLCIGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O3/c1-30-22(29)15-8-2-3-9-16(15)24-19-12-11-18(26-27-19)21(28)25-17-10-4-6-14-7-5-13-23-20(14)17/h2-13H,1H3,(H,24,27)(H,25,28).
What are the key properties of methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate?
methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate has a molecular weight of 399.41 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 109129923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).