6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide

C22H19N5O — CID 109127790

IUPAC6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide
SMILESCc1cccc(C)c1Nc1ccc(C(=O)Nc2cccc3cccnc23)nn1
InChIInChI=1S/C22H19N5O/c1-14-6-3-7-15(2)20(14)25-19-12-11-18(26-27-19)22(28)24-17-10-4-8-16-9-5-13-23-21(16)17/h3-13H,1-2H3,(H,24,28)(H,25,27)
InChIKeyDGNPJAHUYVLFAZ-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.64
Rot. Bonds4

About 6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide

6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide (PubChem CID 109127790) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide
PubChem CID109127790
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide
SMILESCc1cccc(C)c1Nc1ccc(C(=O)Nc2cccc3cccnc23)nn1
InChIInChI=1S/C22H19N5O/c1-14-6-3-7-15(2)20(14)25-19-12-11-18(26-27-19)22(28)24-17-10-4-8-16-9-5-13-23-21(16)17/h3-13H,1-2H3,(H,24,28)(H,25,27)
InChIKeyDGNPJAHUYVLFAZ-UHFFFAOYSA-N
XLogP4.64
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-dimethylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109291330
methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109129923
N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109128991
N-(2,6-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109198241
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-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109119872
N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109111701
6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109120046
N-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109115481
N-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide
CID 109124857
6-methyl-2-(2-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109334786

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide?
The IUPAC name of 6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide (CID 109127790) is 6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide is Cc1cccc(C)c1Nc1ccc(C(=O)Nc2cccc3cccnc23)nn1.
What is the InChIKey of 6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide?
The InChIKey is DGNPJAHUYVLFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-14-6-3-7-15(2)20(14)25-19-12-11-18(26-27-19)22(28)24-17-10-4-8-16-9-5-13-23-21(16)17/h3-13H,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide?
6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109127790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).