1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline

C12H12N2O2S — CID 20996186

IUPAC1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCS(=O)(=O)N1CCc2cc3ccccc3nc21
InChIInChI=1S/C12H12N2O2S/c1-17(15,16)14-7-6-10-8-9-4-2-3-5-11(9)13-12(10)14/h2-5,8H,6-7H2,1H3
InChIKeyLJDJZHSUPZGPBL-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.56
Rot. Bonds1

About 1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline

1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 20996186) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID20996186
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCS(=O)(=O)N1CCc2cc3ccccc3nc21
InChIInChI=1S/C12H12N2O2S/c1-17(15,16)14-7-6-10-8-9-4-2-3-5-11(9)13-12(10)14/h2-5,8H,6-7H2,1H3
InChIKeyLJDJZHSUPZGPBL-UHFFFAOYSA-N
XLogP1.56
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline (CID 20996186) is 1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline is CS(=O)(=O)N1CCc2cc3ccccc3nc21.
What is the InChIKey of 1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is LJDJZHSUPZGPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-17(15,16)14-7-6-10-8-9-4-2-3-5-11(9)13-12(10)14/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 248.31 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 20996186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).