2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline

C19H20N4O3S — CID 90559428

IUPAC2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline
SMILESCc1ccc2cccc(S(=O)(=O)N3CCC(Oc4cccnn4)CC3)c2n1
InChIInChI=1S/C19H20N4O3S/c1-14-7-8-15-4-2-5-17(19(15)21-14)27(24,25)23-12-9-16(10-13-23)26-18-6-3-11-20-22-18/h2-8,11,16H,9-10,12-13H2,1H3
InChIKeyQNMRKVFRXIBFFY-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.57
Rot. Bonds4

About 2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline

2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline (PubChem CID 90559428) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline
PubChem CID90559428
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline
SMILESCc1ccc2cccc(S(=O)(=O)N3CCC(Oc4cccnn4)CC3)c2n1
InChIInChI=1S/C19H20N4O3S/c1-14-7-8-15-4-2-5-17(19(15)21-14)27(24,25)23-12-9-16(10-13-23)26-18-6-3-11-20-22-18/h2-8,11,16H,9-10,12-13H2,1H3
InChIKeyQNMRKVFRXIBFFY-UHFFFAOYSA-N
XLogP2.57
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-8-(4-pyrimidin-2-yloxypiperidin-1-yl)sulfonylquinoline
CID 90558898
8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline
CID 91627435
3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine
CID 90559434
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine
CID 71799633
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638530
3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638526
2-methyl-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]sulfonylquinoline
CID 71973562
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphthalazine
CID 90560503
3-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridazine
CID 71799414
methyl 4-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylbenzoate
CID 71799416
3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624713
3-methyl-1-(2-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylic acid
CID 132971759

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline?
The IUPAC name of 2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline (CID 90559428) is 2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline.
What is the SMILES notation for 2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline?
The canonical SMILES for 2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline is Cc1ccc2cccc(S(=O)(=O)N3CCC(Oc4cccnn4)CC3)c2n1.
What is the InChIKey of 2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline?
The InChIKey is QNMRKVFRXIBFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-14-7-8-15-4-2-5-17(19(15)21-14)27(24,25)23-12-9-16(10-13-23)26-18-6-3-11-20-22-18/h2-8,11,16H,9-10,12-13H2,1H3.
What are the key properties of 2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline?
2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline has a molecular weight of 384.46 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline is sourced from PubChem (CID 90559428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).