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

C22H24N2O2S — CID 20996420

IUPAC1-(4-tert-butylphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCc1cccc2cc3c(nc12)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)CC3
InChIInChI=1S/C22H24N2O2S/c1-15-6-5-7-16-14-17-12-13-24(21(17)23-20(15)16)27(25,26)19-10-8-18(9-11-19)22(2,3)4/h5-11,14H,12-13H2,1-4H3
InChIKeyMTXRERBGQTUUJC-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.59
Rot. Bonds2

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

1-(4-tert-butylphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 20996420) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID20996420
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCc1cccc2cc3c(nc12)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)CC3
InChIInChI=1S/C22H24N2O2S/c1-15-6-5-7-16-14-17-12-13-24(21(17)23-20(15)16)27(25,26)19-10-8-18(9-11-19)22(2,3)4/h5-11,14H,12-13H2,1-4H3
InChIKeyMTXRERBGQTUUJC-UHFFFAOYSA-N
XLogP4.59
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996400
1-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996409
1-(2,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996401
1-(4-fluorophenyl)sulfonyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996246
7-methyl-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996313
1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996186
1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-one
CID 19811007
1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996322
4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]aniline
CID 61105845
1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole;ethyl formate
CID 174568433
1,4-bis-(4-methylphenyl)sulfonyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,2-b]pyridine
CID 101444934
1-propylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996187

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline (CID 20996420) is 1-(4-tert-butylphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline is Cc1cccc2cc3c(nc12)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)CC3.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is MTXRERBGQTUUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-15-6-5-7-16-14-17-12-13-24(21(17)23-20(15)16)27(25,26)19-10-8-18(9-11-19)22(2,3)4/h5-11,14H,12-13H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
1-(4-tert-butylphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 380.51 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 20996420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).