6-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide

C21H16ClN5O — CID 109119872

IUPAC6-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(NCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C21H16ClN5O/c22-16-8-6-14(7-9-16)13-24-19-11-10-18(26-27-19)21(28)25-17-5-1-3-15-4-2-12-23-20(15)17/h1-12H,13H2,(H,24,27)(H,25,28)
InChIKeyRXMBSFHSPUJBIA-UHFFFAOYSA-N
MW389.85 g/mol
LogP4.54
Rot. Bonds5

About 6-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide

6-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide (PubChem CID 109119872) has the molecular formula C21H16ClN5O and a molecular weight of 389.85 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
PubChem CID109119872
Molecular FormulaC21H16ClN5O
Molecular Weight389.85 g/mol
Exact Mass389.10
IUPAC Name6-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(NCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C21H16ClN5O/c22-16-8-6-14(7-9-16)13-24-19-11-10-18(26-27-19)21(28)25-17-5-1-3-15-4-2-12-23-20(15)17/h1-12H,13H2,(H,24,27)(H,25,28)
InChIKeyRXMBSFHSPUJBIA-UHFFFAOYSA-N
XLogP4.54
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.85
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109120046
6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109347369
6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109127790
2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109371305
methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109129923
6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid
CID 60791679
6-[(4-chlorophenyl)methylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109119831
5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
CID 17416993
N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109129475
6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109119838
2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109256323
6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109157913

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide (CID 109119872) is 6-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide is O=C(Nc1cccc2cccnc12)c1ccc(NCc2ccc(Cl)cc2)nn1.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide?
The InChIKey is RXMBSFHSPUJBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O/c22-16-8-6-14(7-9-16)13-24-19-11-10-18(26-27-19)21(28)25-17-5-1-3-15-4-2-12-23-20(15)17/h1-12H,13H2,(H,24,27)(H,25,28).
What are the key properties of 6-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide?
6-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide has a molecular weight of 389.85 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109119872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).