2-methyl-8-(4-pyrimidin-2-yloxypiperidin-1-yl)sulfonylquinoline

C19H20N4O3S — CID 90558898

IUPAC2-methyl-8-(4-pyrimidin-2-yloxypiperidin-1-yl)sulfonylquinoline
SMILESCc1ccc2cccc(S(=O)(=O)N3CCC(Oc4ncccn4)CC3)c2n1
InChIInChI=1S/C19H20N4O3S/c1-14-6-7-15-4-2-5-17(18(15)22-14)27(24,25)23-12-8-16(9-13-23)26-19-20-10-3-11-21-19/h2-7,10-11,16H,8-9,12-13H2,1H3
InChIKeyPNQOLJSQILDAPS-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.57
Rot. Bonds4

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

2-methyl-8-(4-pyrimidin-2-yloxypiperidin-1-yl)sulfonylquinoline (PubChem CID 90558898) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-methyl-8-(4-pyrimidin-2-yloxypiperidin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name2-methyl-8-(4-pyrimidin-2-yloxypiperidin-1-yl)sulfonylquinoline
PubChem CID90558898
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-methyl-8-(4-pyrimidin-2-yloxypiperidin-1-yl)sulfonylquinoline
SMILESCc1ccc2cccc(S(=O)(=O)N3CCC(Oc4ncccn4)CC3)c2n1
InChIInChI=1S/C19H20N4O3S/c1-14-6-7-15-4-2-5-17(18(15)22-14)27(24,25)23-12-8-16(9-13-23)26-19-20-10-3-11-21-19/h2-7,10-11,16H,8-9,12-13H2,1H3
InChIKeyPNQOLJSQILDAPS-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-pyrimidin-2-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-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline
CID 90559428
8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline
CID 91627435
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558922
2-methyl-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]sulfonylquinoline
CID 71973562
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558874
3-methyl-1-(2-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylic acid
CID 132971759
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphthalazine
CID 90560503
4-[1-(2-methylquinolin-8-yl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide
CID 122257091
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558894
N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990230

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(4-pyrimidin-2-yloxypiperidin-1-yl)sulfonylquinoline?
The IUPAC name of 2-methyl-8-(4-pyrimidin-2-yloxypiperidin-1-yl)sulfonylquinoline (CID 90558898) is 2-methyl-8-(4-pyrimidin-2-yloxypiperidin-1-yl)sulfonylquinoline.
What is the SMILES notation for 2-methyl-8-(4-pyrimidin-2-yloxypiperidin-1-yl)sulfonylquinoline?
The canonical SMILES for 2-methyl-8-(4-pyrimidin-2-yloxypiperidin-1-yl)sulfonylquinoline is Cc1ccc2cccc(S(=O)(=O)N3CCC(Oc4ncccn4)CC3)c2n1.
What is the InChIKey of 2-methyl-8-(4-pyrimidin-2-yloxypiperidin-1-yl)sulfonylquinoline?
The InChIKey is PNQOLJSQILDAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-14-6-7-15-4-2-5-17(18(15)22-14)27(24,25)23-12-8-16(9-13-23)26-19-20-10-3-11-21-19/h2-7,10-11,16H,8-9,12-13H2,1H3.
What are the key properties of 2-methyl-8-(4-pyrimidin-2-yloxypiperidin-1-yl)sulfonylquinoline?
2-methyl-8-(4-pyrimidin-2-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-pyrimidin-2-yloxypiperidin-1-yl)sulfonylquinoline is sourced from PubChem (CID 90558898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).