2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline

C20H29NO2S — CID 158614788

IUPAC2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline
SMILESCc1ccc2cc(CCCCCCCS(=O)(=O)C(C)C)ccc2n1
InChIInChI=1S/C20H29NO2S/c1-16(2)24(22,23)14-8-6-4-5-7-9-18-11-13-20-19(15-18)12-10-17(3)21-20/h10-13,15-16H,4-9,14H2,1-3H3
InChIKeyJRWOCHGFTRKAAX-UHFFFAOYSA-N
MW347.52 g/mol
LogP4.86
Rot. Bonds9

About 2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline

2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline (PubChem CID 158614788) has the molecular formula C20H29NO2S and a molecular weight of 347.52 g/mol. Its IUPAC name is 2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline.

Molecular Properties

Compound Name2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline
PubChem CID158614788
Molecular FormulaC20H29NO2S
Molecular Weight347.52 g/mol
Exact Mass347.19
IUPAC Name2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline
SMILESCc1ccc2cc(CCCCCCCS(=O)(=O)C(C)C)ccc2n1
InChIInChI=1S/C20H29NO2S/c1-16(2)24(22,23)14-8-6-4-5-7-9-18-11-13-20-19(15-18)12-10-17(3)21-20/h10-13,15-16H,4-9,14H2,1-3H3
InChIKeyJRWOCHGFTRKAAX-UHFFFAOYSA-N
XLogP4.86
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.52
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-Dimethylquinoline
CID 13414
quinolinium, 2-methyl-1-(3-sulfopropyl)-, inner salt
CID 103914
2,8-Dimethylquinoline
CID 15101
2-(4-(Methylsulfonyl)phenyl)-3-phenylquinoline
CID 46232132
6,8-Dimethyl-2-phenylquinoline
CID 51361072
4,8-Dimethyl-2,3-dihydrothieno[3,2-c]quinoline
CID 2816001
(R)-2-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-4,5-dihydrothiazole
CID 10358984
6-(2-(Methylsulfonyl)propan-2-yl)-8-(3-(pyridin-4-yl)phenyl)quinoline
CID 10386398
8-(4''-Methanesulfonylmethyl-biphenyl-3-yl)-6-(1-methanesulfonyl-1-methyl-ethyl)-quinoline
CID 10480864
6-(2-(Methylsulfonyl)propan-2-yl)-8-(3-(pyridin-3-yl)phenyl)quinoline
CID 11741843
2,4,6-Trimethylquinoline
CID 75247
Diethylquinoline
CID 50106

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline?
The IUPAC name of 2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline (CID 158614788) is 2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline.
What is the SMILES notation for 2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline?
The canonical SMILES for 2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline is Cc1ccc2cc(CCCCCCCS(=O)(=O)C(C)C)ccc2n1.
What is the InChIKey of 2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline?
The InChIKey is JRWOCHGFTRKAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2S/c1-16(2)24(22,23)14-8-6-4-5-7-9-18-11-13-20-19(15-18)12-10-17(3)21-20/h10-13,15-16H,4-9,14H2,1-3H3.
What are the key properties of 2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline?
2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline has a molecular weight of 347.52 g/mol, XLogP of 4.86, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline is sourced from PubChem (CID 158614788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).