1-[5-[(6-ethyl-2,4-dimethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxyphenyl]ethanone

C21H25NO4S — CID 158563770

IUPAC1-[5-[(6-ethyl-2,4-dimethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxyphenyl]ethanone
SMILESCCc1ccc2c(c1)C(C)CC(C)N2S(=O)(=O)c1ccc(O)c(C(C)=O)c1
InChIInChI=1S/C21H25NO4S/c1-5-16-6-8-20-18(11-16)13(2)10-14(3)22(20)27(25,26)17-7-9-21(24)19(12-17)15(4)23/h6-9,11-14,24H,5,10H2,1-4H3
InChIKeyRXAYSMCZROUUOJ-UHFFFAOYSA-N
MW387.50 g/mol
LogP4.25
Rot. Bonds4

About 1-[5-[(6-ethyl-2,4-dimethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxyphenyl]ethanone

1-[5-[(6-ethyl-2,4-dimethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxyphenyl]ethanone (PubChem CID 158563770) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is 1-[5-[(6-ethyl-2,4-dimethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[5-[(6-ethyl-2,4-dimethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxyphenyl]ethanone
PubChem CID158563770
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC Name1-[5-[(6-ethyl-2,4-dimethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxyphenyl]ethanone
SMILESCCc1ccc2c(c1)C(C)CC(C)N2S(=O)(=O)c1ccc(O)c(C(C)=O)c1
InChIInChI=1S/C21H25NO4S/c1-5-16-6-8-20-18(11-16)13(2)10-14(3)22(20)27(25,26)17-7-9-21(24)19(12-17)15(4)23/h6-9,11-14,24H,5,10H2,1-4H3
InChIKeyRXAYSMCZROUUOJ-UHFFFAOYSA-N
XLogP4.25
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[(6-ethyl-2,4-dimethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxyphenyl]ethanone with MolForge

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Related Compounds

1-[5-[[(2S,3R)-6-ethyl-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone
CID 159466462
6-ethyl-1-[3-(hydroxymethyl)-4-(oxan-4-ylmethoxy)phenyl]sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 138518096
methyl 5-[(6-cyclopropyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxybenzoate
CID 138518124
4-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-isocyanophenol
CID 154608822
methyl 5-[(6-ethyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzoate
CID 138518307
3-acetyl-N-[2-(3-cyclobutyl-3-hydroxypropyl)-4-ethylphenyl]-4-hydroxybenzenesulfonamide
CID 157390492
6-ethyl-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 63821566
CID 158563769
CID 158563769
2-methyl-5-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 55460783
methyl 5-[(6-tert-butyl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxybenzoate
CID 155021889
5-(4-ethylpiperazin-1-yl)sulfonyl-2-hydroxybenzamide
CID 70847897
6-ethyl-2-methyl-1-[4-[(1S)-1-(thian-4-yl)ethoxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 155031922

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(6-ethyl-2,4-dimethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[5-[(6-ethyl-2,4-dimethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxyphenyl]ethanone (CID 158563770) is 1-[5-[(6-ethyl-2,4-dimethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[5-[(6-ethyl-2,4-dimethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[5-[(6-ethyl-2,4-dimethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxyphenyl]ethanone is CCc1ccc2c(c1)C(C)CC(C)N2S(=O)(=O)c1ccc(O)c(C(C)=O)c1.
What is the InChIKey of 1-[5-[(6-ethyl-2,4-dimethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxyphenyl]ethanone?
The InChIKey is RXAYSMCZROUUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4S/c1-5-16-6-8-20-18(11-16)13(2)10-14(3)22(20)27(25,26)17-7-9-21(24)19(12-17)15(4)23/h6-9,11-14,24H,5,10H2,1-4H3.
What are the key properties of 1-[5-[(6-ethyl-2,4-dimethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxyphenyl]ethanone?
1-[5-[(6-ethyl-2,4-dimethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxyphenyl]ethanone has a molecular weight of 387.50 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(6-ethyl-2,4-dimethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 158563770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).