2-[2-(3-methoxyphenyl)ethyl]-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline

C26H29NO3S — CID 162096965

IUPAC2-[2-(3-methoxyphenyl)ethyl]-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCOc1cccc(CCC2CCc3ccc(C)cc3N2S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C26H29NO3S/c1-19-8-15-25(16-9-19)31(28,29)27-23(13-10-21-5-4-6-24(18-21)30-3)14-12-22-11-7-20(2)17-26(22)27/h4-9,11,15-18,23H,10,12-14H2,1-3H3
InChIKeyKWRUIFVTARYURN-UHFFFAOYSA-N
MW435.59 g/mol
LogP5.45
Rot. Bonds6

About 2-[2-(3-methoxyphenyl)ethyl]-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline

2-[2-(3-methoxyphenyl)ethyl]-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 162096965) has the molecular formula C26H29NO3S and a molecular weight of 435.59 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)ethyl]-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)ethyl]-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID162096965
Molecular FormulaC26H29NO3S
Molecular Weight435.59 g/mol
Exact Mass435.19
IUPAC Name2-[2-(3-methoxyphenyl)ethyl]-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCOc1cccc(CCC2CCc3ccc(C)cc3N2S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C26H29NO3S/c1-19-8-15-25(16-9-19)31(28,29)27-23(13-10-21-5-4-6-24(18-21)30-3)14-12-22-11-7-20(2)17-26(22)27/h4-9,11,15-18,23H,10,12-14H2,1-3H3
InChIKeyKWRUIFVTARYURN-UHFFFAOYSA-N
XLogP5.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.59
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-methoxyphenyl)ethyl]-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-7-fluoro-2-[2-(2-fluoro-5-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline
CID 142470239
CID 159121889
CID 159121889
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46048365
1-(2,4-dimethylphenyl)sulfonyl-4-[2-(3-methoxyphenyl)ethyl]piperazine
CID 110412373
(2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine
CID 71624271
3-benzyl-5-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 177441417
3-ethyl-6-methoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 102288199
(3aR,9aR)-8-methoxy-3a-[(3-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonyl-3,4,9,9a-tetrahydro-2H-benzo[f]indole
CID 102053995
N-[(3-methoxyphenyl)methyl]-2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide
CID 53012638
2-[(3-methoxyphenyl)methylsulfonyl]-5-methylaniline
CID 81193072
4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine
CID 110420727
2-amino-4-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylbutanoic acid
CID 22250945

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)ethyl]-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 2-[2-(3-methoxyphenyl)ethyl]-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline (CID 162096965) is 2-[2-(3-methoxyphenyl)ethyl]-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)ethyl]-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 2-[2-(3-methoxyphenyl)ethyl]-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline is COc1cccc(CCC2CCc3ccc(C)cc3N2S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)ethyl]-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is KWRUIFVTARYURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3S/c1-19-8-15-25(16-9-19)31(28,29)27-23(13-10-21-5-4-6-24(18-21)30-3)14-12-22-11-7-20(2)17-26(22)27/h4-9,11,15-18,23H,10,12-14H2,1-3H3.
What are the key properties of 2-[2-(3-methoxyphenyl)ethyl]-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
2-[2-(3-methoxyphenyl)ethyl]-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 435.59 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)ethyl]-7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 162096965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).