8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride

C16H22ClN3O2S — CID 120725603

IUPAC8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride
SMILESCc1cnc2c(S(=O)(=O)N3CCNC(C)C3C)cccc2c1.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-11-9-14-5-4-6-15(16(14)18-10-11)22(20,21)19-8-7-17-12(2)13(19)3;/h4-6,9-10,12-13,17H,7-8H2,1-3H3;1H
InChIKeyMSMQCRRTDAOJKE-UHFFFAOYSA-N
MW355.89 g/mol
LogP2.34
Rot. Bonds2

About 8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride

8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride (PubChem CID 120725603) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is 8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride.

Molecular Properties

Compound Name8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride
PubChem CID120725603
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC Name8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride
SMILESCc1cnc2c(S(=O)(=O)N3CCNC(C)C3C)cccc2c1.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-11-9-14-5-4-6-15(16(14)18-10-11)22(20,21)19-8-7-17-12(2)13(19)3;/h4-6,9-10,12-13,17H,7-8H2,1-3H3;1H
InChIKeyMSMQCRRTDAOJKE-UHFFFAOYSA-N
XLogP2.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline
CID 62673138
3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline
CID 146130519
3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride
CID 120714217
3-methyl-N-(2-methylpiperidin-3-yl)quinoline-8-sulfonamide;hydrochloride
CID 120726393
(4aR,8aS)-4-(3-methylquinolin-8-yl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 100890221
3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline
CID 167832851
1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725689
3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline
CID 36506249
N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 124684923
3-methyl-8-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline
CID 60534583
3-methyl-8-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline
CID 42936218
[(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol
CID 128975070

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride?
The IUPAC name of 8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride (CID 120725603) is 8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride.
What is the SMILES notation for 8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride?
The canonical SMILES for 8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride is Cc1cnc2c(S(=O)(=O)N3CCNC(C)C3C)cccc2c1.Cl.
What is the InChIKey of 8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride?
The InChIKey is MSMQCRRTDAOJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S.ClH/c1-11-9-14-5-4-6-15(16(14)18-10-11)22(20,21)19-8-7-17-12(2)13(19)3;/h4-6,9-10,12-13,17H,7-8H2,1-3H3;1H.
What are the key properties of 8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride?
8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride has a molecular weight of 355.89 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride is sourced from PubChem (CID 120725603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).