4-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinoline

C18H21NO3S — CID 110709552

IUPAC4-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinoline
SMILESCOC1CCN(S(=O)(=O)CCc2ccccc2)c2ccccc21
InChIInChI=1S/C18H21NO3S/c1-22-18-11-13-19(17-10-6-5-9-16(17)18)23(20,21)14-12-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3
InChIKeyKTUXPZXNORDWHI-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.16
Rot. Bonds5

About 4-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinoline

4-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinoline (PubChem CID 110709552) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name4-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinoline
PubChem CID110709552
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name4-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinoline
SMILESCOC1CCN(S(=O)(=O)CCc2ccccc2)c2ccccc21
InChIInChI=1S/C18H21NO3S/c1-22-18-11-13-19(17-10-6-5-9-16(17)18)23(20,21)14-12-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3
InChIKeyKTUXPZXNORDWHI-UHFFFAOYSA-N
XLogP3.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-1-(2-phenylethylsulfonyl)-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

6-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol
CID 110636787
methyl 2-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-3-yl]acetate
CID 110672713
2-[(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile
CID 110709564
4-methoxy-1-methyl-3,4-dihydro-2H-quinoline
CID 15531030
methyl 1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxylate
CID 43624427
N-ethyl-1-(2-methoxyethylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335957
1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627597
3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816
3-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 71662647
methyl 4-(2-phenylethylsulfonyl)piperazine-1-carboxylate
CID 110818523
3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 132581058
(3S)-3-methoxy-1-pyridin-2-ylsulfonyl-2,3-dihydroindole
CID 138976936

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 4-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinoline (CID 110709552) is 4-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 4-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 4-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinoline is COC1CCN(S(=O)(=O)CCc2ccccc2)c2ccccc21.
What is the InChIKey of 4-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinoline?
The InChIKey is KTUXPZXNORDWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-22-18-11-13-19(17-10-6-5-9-16(17)18)23(20,21)14-12-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3.
What are the key properties of 4-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinoline?
4-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinoline has a molecular weight of 331.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 110709552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).