6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide

C22H19N5O2 — CID 109120046

IUPAC6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
SMILESCOc1ccccc1CNc1ccc(C(=O)Nc2cccc3cccnc23)nn1
InChIInChI=1S/C22H19N5O2/c1-29-19-10-3-2-6-16(19)14-24-20-12-11-18(26-27-20)22(28)25-17-9-4-7-15-8-5-13-23-21(15)17/h2-13H,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyXJVADACYUPYTNJ-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.90
Rot. Bonds6

About 6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide

6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide (PubChem CID 109120046) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
PubChem CID109120046
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
SMILESCOc1ccccc1CNc1ccc(C(=O)Nc2cccc3cccnc23)nn1
InChIInChI=1S/C22H19N5O2/c1-29-19-10-3-2-6-16(19)14-24-20-12-11-18(26-27-20)22(28)25-17-9-4-7-15-8-5-13-23-21(15)17/h2-13H,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyXJVADACYUPYTNJ-UHFFFAOYSA-N
XLogP3.90
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109370264
6-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109119872
N-(5-chloro-2-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120023
N-(2,6-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120054
N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109129475
methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109129923
N-tert-butyl-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109119978
5-(2-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109199751
5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109280202
N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109129615
6-[(2-methoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide
CID 109120056
N-(3-chloro-4-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120022

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide?
The IUPAC name of 6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide (CID 109120046) is 6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide is COc1ccccc1CNc1ccc(C(=O)Nc2cccc3cccnc23)nn1.
What is the InChIKey of 6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide?
The InChIKey is XJVADACYUPYTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-29-19-10-3-2-6-16(19)14-24-20-12-11-18(26-27-20)22(28)25-17-9-4-7-15-8-5-13-23-21(15)17/h2-13H,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide?
6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109120046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).