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

C14H16N2O2S — CID 20996187

IUPAC1-propylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCCCS(=O)(=O)N1CCc2cc3ccccc3nc21
InChIInChI=1S/C14H16N2O2S/c1-2-9-19(17,18)16-8-7-12-10-11-5-3-4-6-13(11)15-14(12)16/h3-6,10H,2,7-9H2,1H3
InChIKeyTUCJAZJGFRTAIS-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.34
Rot. Bonds3

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

1-propylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 20996187) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-propylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-propylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID20996187
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-propylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCCCS(=O)(=O)N1CCc2cc3ccccc3nc21
InChIInChI=1S/C14H16N2O2S/c1-2-9-19(17,18)16-8-7-12-10-11-5-3-4-6-13(11)15-14(12)16/h3-6,10H,2,7-9H2,1H3
InChIKeyTUCJAZJGFRTAIS-UHFFFAOYSA-N
XLogP2.34
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-propylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline (CID 20996187) is 1-propylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-propylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-propylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline is CCCS(=O)(=O)N1CCc2cc3ccccc3nc21.
What is the InChIKey of 1-propylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is TUCJAZJGFRTAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-9-19(17,18)16-8-7-12-10-11-5-3-4-6-13(11)15-14(12)16/h3-6,10H,2,7-9H2,1H3.
What are the key properties of 1-propylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
1-propylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 276.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 20996187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).