6-ethoxy-1-(4-fluorophenyl)sulfonyl-2,2,4-trimethylquinoline

C20H22FNO3S — CID 1118707

IUPAC6-ethoxy-1-(4-fluorophenyl)sulfonyl-2,2,4-trimethylquinoline
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO3S/c1-5-25-16-8-11-19-18(12-16)14(2)13-20(3,4)22(19)26(23,24)17-9-6-15(21)7-10-17/h6-13H,5H2,1-4H3
InChIKeyLMNYLAXIAQFHOQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.62
Rot. Bonds4

About 6-ethoxy-1-(4-fluorophenyl)sulfonyl-2,2,4-trimethylquinoline

6-ethoxy-1-(4-fluorophenyl)sulfonyl-2,2,4-trimethylquinoline (PubChem CID 1118707) has the molecular formula C20H22FNO3S and a molecular weight of 375.47 g/mol. Its IUPAC name is 6-ethoxy-1-(4-fluorophenyl)sulfonyl-2,2,4-trimethylquinoline.

Molecular Properties

Compound Name6-ethoxy-1-(4-fluorophenyl)sulfonyl-2,2,4-trimethylquinoline
PubChem CID1118707
Molecular FormulaC20H22FNO3S
Molecular Weight375.47 g/mol
Exact Mass375.13
IUPAC Name6-ethoxy-1-(4-fluorophenyl)sulfonyl-2,2,4-trimethylquinoline
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO3S/c1-5-25-16-8-11-19-18(12-16)14(2)13-20(3,4)22(19)26(23,24)17-9-6-15(21)7-10-17/h6-13H,5H2,1-4H3
InChIKeyLMNYLAXIAQFHOQ-UHFFFAOYSA-N
XLogP4.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-ethoxy-1-(4-fluorophenyl)sulfonyl-2,2,4-trimethylquinoline 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-Fluoro-1-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 2933892
6-Methoxy-2,2,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-1,2-dihydroquinoline
CID 988603
6-Ethoxy-2,2,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-1,2-dihydroquinoline
CID 1069778
1-(Phenylsulfonyl)-6-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 10026806
9-Methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide
CID 775733
1-(4-Bromophenyl)sulfonyl-6-methoxy-2,2,4-trimethylquinoline
CID 1004945
N-[4-(6-Methoxy-2,2,4-trimethyl-2H-quinoline-1-sulfonyl)-phenyl]-acetamide
CID 1015805
N-[4-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide
CID 1101639
8-Methoxy-4,4-dimethyl-5-(4-methylphenyl)sulfonyldithiolo[3,4-c]quinoline-1-thione
CID 1963578
1-(9-Methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)ethanone
CID 2314340
N,4-dimethyl-N-[4-[(3-methylphenyl)methoxy]phenyl]benzenesulfonamide
CID 24819423
4-fluoro-N-phenyl-N-(1-(2-(3-(pyrrolidin-1-yl)propoxy)phenyl)ethyl)benzenesulfonamide
CID 44414808

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-(4-fluorophenyl)sulfonyl-2,2,4-trimethylquinoline?
The IUPAC name of 6-ethoxy-1-(4-fluorophenyl)sulfonyl-2,2,4-trimethylquinoline (CID 1118707) is 6-ethoxy-1-(4-fluorophenyl)sulfonyl-2,2,4-trimethylquinoline.
What is the SMILES notation for 6-ethoxy-1-(4-fluorophenyl)sulfonyl-2,2,4-trimethylquinoline?
The canonical SMILES for 6-ethoxy-1-(4-fluorophenyl)sulfonyl-2,2,4-trimethylquinoline is CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 6-ethoxy-1-(4-fluorophenyl)sulfonyl-2,2,4-trimethylquinoline?
The InChIKey is LMNYLAXIAQFHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3S/c1-5-25-16-8-11-19-18(12-16)14(2)13-20(3,4)22(19)26(23,24)17-9-6-15(21)7-10-17/h6-13H,5H2,1-4H3.
What are the key properties of 6-ethoxy-1-(4-fluorophenyl)sulfonyl-2,2,4-trimethylquinoline?
6-ethoxy-1-(4-fluorophenyl)sulfonyl-2,2,4-trimethylquinoline has a molecular weight of 375.47 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-(4-fluorophenyl)sulfonyl-2,2,4-trimethylquinoline is sourced from PubChem (CID 1118707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).