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

C20H20N2O4S — CID 20996400

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCc3cc4cccc(C)c4nc32)cc1OC
InChIInChI=1S/C20H20N2O4S/c1-13-5-4-6-14-11-15-9-10-22(20(15)21-19(13)14)27(23,24)16-7-8-17(25-2)18(12-16)26-3/h4-8,11-12H,9-10H2,1-3H3
InChIKeySJFUWNGPJPIDDY-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.31
Rot. Bonds4

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

1-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 20996400) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID20996400
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCc3cc4cccc(C)c4nc32)cc1OC
InChIInChI=1S/C20H20N2O4S/c1-13-5-4-6-14-11-15-9-10-22(20(15)21-19(13)14)27(23,24)16-7-8-17(25-2)18(12-16)26-3/h4-8,11-12H,9-10H2,1-3H3
InChIKeySJFUWNGPJPIDDY-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-(4-tert-butylphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996420
1-(2,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996401
1-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996409
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline
CID 108781202
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-7-methyl-2,3-dihydroindole
CID 112846336
1-(3,4-dimethoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 9300907
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 974280
4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine
CID 121187227
4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
CID 110316268
1-(4-fluorophenyl)sulfonyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996246

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline (CID 20996400) is 1-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline is COc1ccc(S(=O)(=O)N2CCc3cc4cccc(C)c4nc32)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is SJFUWNGPJPIDDY-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)16-7-8-17(25-2)18(12-16)26-3/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
1-(3,4-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-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 20996400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).