1-(2,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline

C20H20N2O4S — CID 20996401

IUPAC1-(2,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCc3cc4cccc(C)c4nc32)c(OC)c1
InChIInChI=1S/C20H20N2O4S/c1-13-5-4-6-14-11-15-9-10-22(20(15)21-19(13)14)27(23,24)18-8-7-16(25-2)12-17(18)26-3/h4-8,11-12H,9-10H2,1-3H3
InChIKeyPTUKQDFBGMKSEF-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.31
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline

1-(2,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 20996401) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID20996401
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name1-(2,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCc3cc4cccc(C)c4nc32)c(OC)c1
InChIInChI=1S/C20H20N2O4S/c1-13-5-4-6-14-11-15-9-10-22(20(15)21-19(13)14)27(23,24)18-8-7-16(25-2)12-17(18)26-3/h4-8,11-12H,9-10H2,1-3H3
InChIKeyPTUKQDFBGMKSEF-UHFFFAOYSA-N
XLogP3.31
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996400
1-(4-tert-butylphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996420
1-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996409
5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole
CID 110714127
1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole
CID 110714003
1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-7-methyl-2,3-dihydroindole
CID 112846336
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107
1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110637189
6-(2,4-dimethoxyphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585489
1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996186
1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 110708580
1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 19683272

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-(2,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline (CID 20996401) is 1-(2,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline is COc1ccc(S(=O)(=O)N2CCc3cc4cccc(C)c4nc32)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is PTUKQDFBGMKSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-13-5-4-6-14-11-15-9-10-22(20(15)21-19(13)14)27(23,24)18-8-7-16(25-2)12-17(18)26-3/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
1-(2,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 384.46 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 20996401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).