6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline

C21H25NO3S — CID 1069778

IUPAC6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H25NO3S/c1-6-25-17-9-12-20-19(13-17)16(3)14-21(4,5)22(20)26(23,24)18-10-7-15(2)8-11-18/h7-14H,6H2,1-5H3
InChIKeyPAWMDFURAZONCN-UHFFFAOYSA-N
MW371.50 g/mol
LogP4.78
Rot. Bonds4

About 6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline

6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline (PubChem CID 1069778) has the molecular formula C21H25NO3S and a molecular weight of 371.50 g/mol. Its IUPAC name is 6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline.

Molecular Properties

Compound Name6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline
PubChem CID1069778
Molecular FormulaC21H25NO3S
Molecular Weight371.50 g/mol
Exact Mass371.16
IUPAC Name6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H25NO3S/c1-6-25-17-9-12-20-19(13-17)16(3)14-21(4,5)22(20)26(23,24)18-10-7-15(2)8-11-18/h7-14H,6H2,1-5H3
InChIKeyPAWMDFURAZONCN-UHFFFAOYSA-N
XLogP4.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Ethoxyphenyl)-4-methylbenzenesulfonamide
CID 284083
6-Methoxy-2,2,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-1,2-dihydroquinoline
CID 988603
(2,2,4-trimethyl-1H-quinolin-6-yl) 4-methylbenzenesulfonate
CID 2848586
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
[4-(N-(4-methylphenyl)sulfonylanilino)phenyl] acetate
CID 2302739
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

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline?
The IUPAC name of 6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline (CID 1069778) is 6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline.
What is the SMILES notation for 6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline?
The canonical SMILES for 6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline is CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline?
The InChIKey is PAWMDFURAZONCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3S/c1-6-25-17-9-12-20-19(13-17)16(3)14-21(4,5)22(20)26(23,24)18-10-7-15(2)8-11-18/h7-14H,6H2,1-5H3.
What are the key properties of 6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline?
6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline has a molecular weight of 371.50 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline is sourced from PubChem (CID 1069778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).