2-[(4S)-5-methoxy-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]ethanol

C20H25NO4S — CID 167543822

IUPAC2-[(4S)-5-methoxy-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]ethanol
SMILESCOc1cc(C)cc2c1[C@H](CCO)CCN2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H25NO4S/c1-14-4-6-17(7-5-14)26(23,24)21-10-8-16(9-11-22)20-18(21)12-15(2)13-19(20)25-3/h4-7,12-13,16,22H,8-11H2,1-3H3/t16-/m0/s1
InChIKeyBKOHYAAMLMCPJY-INIZCTEOSA-N
MW375.49 g/mol
LogP3.38
Rot. Bonds5

About 2-[(4S)-5-methoxy-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]ethanol

2-[(4S)-5-methoxy-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]ethanol (PubChem CID 167543822) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[(4S)-5-methoxy-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]ethanol.

Molecular Properties

Compound Name2-[(4S)-5-methoxy-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]ethanol
PubChem CID167543822
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name2-[(4S)-5-methoxy-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]ethanol
SMILESCOc1cc(C)cc2c1[C@H](CCO)CCN2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H25NO4S/c1-14-4-6-17(7-5-14)26(23,24)21-10-8-16(9-11-22)20-18(21)12-15(2)13-19(20)25-3/h4-7,12-13,16,22H,8-11H2,1-3H3/t16-/m0/s1
InChIKeyBKOHYAAMLMCPJY-INIZCTEOSA-N
XLogP3.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4S)-5-methoxy-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]ethanol with MolForge

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Related Compounds

8-methoxy-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-4-ol
CID 10712674
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
methyl 8-chloro-1-(4-methylphenyl)sulfonyl-5-oxo-3,4-dihydro-2H-1-benzazepine-4-carboxylate
CID 12646133
5-methoxy-1-(4-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole
CID 59442060
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
7-methoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline
CID 175202252
3-[(5-fluoro-2-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylazepane-2,6-dione
CID 58339425
ethyl 7-fluoro-1-(4-methylphenyl)sulfonyl-5-oxo-3,4-dihydro-2H-1-benzazepine-4-carboxylate
CID 169107254
[(4S)-8-bromo-4-(2-hydroxyethyl)-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 167601445
2-(1-formylpiperidin-4-yl)ethyl 4-methylbenzenesulfonate;4-(2-hydroxyethyl)piperidine-1-carbaldehyde
CID 158185948
1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636294
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 122373730

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-5-methoxy-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]ethanol?
The IUPAC name of 2-[(4S)-5-methoxy-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]ethanol (CID 167543822) is 2-[(4S)-5-methoxy-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]ethanol.
What is the SMILES notation for 2-[(4S)-5-methoxy-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]ethanol?
The canonical SMILES for 2-[(4S)-5-methoxy-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]ethanol is COc1cc(C)cc2c1[C@H](CCO)CCN2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[(4S)-5-methoxy-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]ethanol?
The InChIKey is BKOHYAAMLMCPJY-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-14-4-6-17(7-5-14)26(23,24)21-10-8-16(9-11-22)20-18(21)12-15(2)13-19(20)25-3/h4-7,12-13,16,22H,8-11H2,1-3H3/t16-/m0/s1.
What are the key properties of 2-[(4S)-5-methoxy-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]ethanol?
2-[(4S)-5-methoxy-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]ethanol has a molecular weight of 375.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-5-methoxy-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]ethanol is sourced from PubChem (CID 167543822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).