2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-3-methylquinoline

C19H23N5O2S — CID 110645042

IUPAC2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-3-methylquinoline
SMILESCc1cc2ccccc2nc1N1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C19H23N5O2S/c1-13-12-16-6-4-5-7-17(16)20-19(13)23-8-10-24(11-9-23)27(25,26)18-14(2)21-22-15(18)3/h4-7,12H,8-11H2,1-3H3,(H,21,22)
InChIKeyOYAMBRSRITXDJN-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.39
Rot. Bonds3

About 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-3-methylquinoline

2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-3-methylquinoline (PubChem CID 110645042) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-3-methylquinoline.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-3-methylquinoline
PubChem CID110645042
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-3-methylquinoline
SMILESCc1cc2ccccc2nc1N1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C19H23N5O2S/c1-13-12-16-6-4-5-7-17(16)20-19(13)23-8-10-24(11-9-23)27(25,26)18-14(2)21-22-15(18)3/h4-7,12H,8-11H2,1-3H3,(H,21,22)
InChIKeyOYAMBRSRITXDJN-UHFFFAOYSA-N
XLogP2.39
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-3-methylquinoline
CID 110420550
1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113080467
[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 110328653
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine
CID 46976898
1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone
CID 110644990
1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113079952
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]oxyquinoline
CID 122250674
4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine
CID 122335366
[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 110805343
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-1-phenylethanone
CID 110366309

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-3-methylquinoline?
The IUPAC name of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-3-methylquinoline (CID 110645042) is 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-3-methylquinoline.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-3-methylquinoline?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-3-methylquinoline is Cc1cc2ccccc2nc1N1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-3-methylquinoline?
The InChIKey is OYAMBRSRITXDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-13-12-16-6-4-5-7-17(16)20-19(13)23-8-10-24(11-9-23)27(25,26)18-14(2)21-22-15(18)3/h4-7,12H,8-11H2,1-3H3,(H,21,22).
What are the key properties of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-3-methylquinoline?
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-3-methylquinoline has a molecular weight of 385.49 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-3-methylquinoline is sourced from PubChem (CID 110645042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).