3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline

C16H20N2O2S — CID 146130519

IUPAC3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline
SMILESCc1cnc2c(S(=O)(=O)N3CCC3C(C)C)cccc2c1
InChIInChI=1S/C16H20N2O2S/c1-11(2)14-7-8-18(14)21(19,20)15-6-4-5-13-9-12(3)10-17-16(13)15/h4-6,9-11,14H,7-8H2,1-3H3
InChIKeyUOCHMGPQBKHMGE-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.96
Rot. Bonds3

About 3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline

3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline (PubChem CID 146130519) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline
PubChem CID146130519
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline
SMILESCc1cnc2c(S(=O)(=O)N3CCC3C(C)C)cccc2c1
InChIInChI=1S/C16H20N2O2S/c1-11(2)14-7-8-18(14)21(19,20)15-6-4-5-13-9-12(3)10-17-16(13)15/h4-6,9-11,14H,7-8H2,1-3H3
InChIKeyUOCHMGPQBKHMGE-UHFFFAOYSA-N
XLogP2.96
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4aR,8aS)-4-(3-methylquinolin-8-yl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 100890221
8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride
CID 120725603
3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline
CID 62673138
3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline
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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
[1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol
CID 110892063
[(2S,4S)-4-methoxy-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanol
CID 128975070
3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride
CID 120714217
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
2-(4-fluoroanilino)-1-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-2-yl]ethanone
CID 167625873

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline?
The IUPAC name of 3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline (CID 146130519) is 3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline.
What is the SMILES notation for 3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline?
The canonical SMILES for 3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline is Cc1cnc2c(S(=O)(=O)N3CCC3C(C)C)cccc2c1.
What is the InChIKey of 3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline?
The InChIKey is UOCHMGPQBKHMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(2)14-7-8-18(14)21(19,20)15-6-4-5-13-9-12(3)10-17-16(13)15/h4-6,9-11,14H,7-8H2,1-3H3.
What are the key properties of 3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline?
3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline has a molecular weight of 304.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(2-propan-2-ylazetidin-1-yl)sulfonylquinoline is sourced from PubChem (CID 146130519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).