N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide

C21H16ClN5O — CID 109128991

IUPACN-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Nc3cccc4cccnc34)nn2)cc1Cl
InChIInChI=1S/C21H16ClN5O/c1-13-7-8-15(12-16(13)22)24-21(28)18-9-10-19(27-26-18)25-17-6-2-4-14-5-3-11-23-20(14)17/h2-12H,1H3,(H,24,28)(H,25,27)
InChIKeyXQGMBQBHGKALEZ-UHFFFAOYSA-N
MW389.85 g/mol
LogP4.98
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide

N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide (PubChem CID 109128991) has the molecular formula C21H16ClN5O and a molecular weight of 389.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
PubChem CID109128991
Molecular FormulaC21H16ClN5O
Molecular Weight389.85 g/mol
Exact Mass389.10
IUPAC NameN-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Nc3cccc4cccnc34)nn2)cc1Cl
InChIInChI=1S/C21H16ClN5O/c1-13-7-8-15(12-16(13)22)24-21(28)18-9-10-19(27-26-18)25-17-6-2-4-14-5-3-11-23-20(14)17/h2-12H,1H3,(H,24,28)(H,25,27)
InChIKeyXQGMBQBHGKALEZ-UHFFFAOYSA-N
XLogP4.98
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.85
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
CID 109177701
N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269168
6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109127790
5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109293181
N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109129615
N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109111701
N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109129475
N-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109115481
methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109129923
N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109128993
N-(2,6-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109198241
N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide
CID 109128978

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide (CID 109128991) is N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(Nc3cccc4cccnc34)nn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide?
The InChIKey is XQGMBQBHGKALEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O/c1-13-7-8-15(12-16(13)22)24-21(28)18-9-10-19(27-26-18)25-17-6-2-4-14-5-3-11-23-20(14)17/h2-12H,1H3,(H,24,28)(H,25,27).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide?
N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide has a molecular weight of 389.85 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).