1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline

C19H16N2O4S — CID 20996322

IUPAC1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc2c(c1)OCO2)CC3
InChIInChI=1S/C19H16N2O4S/c1-12-2-3-13-9-14-6-7-21(19(14)20-16(13)8-12)26(22,23)15-4-5-17-18(10-15)25-11-24-17/h2-5,8-10H,6-7,11H2,1H3
InChIKeyHNTODWIEMSPBSV-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.02
Rot. Bonds2

About 1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline

1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 20996322) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID20996322
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc2c(c1)OCO2)CC3
InChIInChI=1S/C19H16N2O4S/c1-12-2-3-13-9-14-6-7-21(19(14)20-16(13)8-12)26(22,23)15-4-5-17-18(10-15)25-11-24-17/h2-5,8-10H,6-7,11H2,1H3
InChIKeyHNTODWIEMSPBSV-UHFFFAOYSA-N
XLogP3.02
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline (CID 20996322) is 1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline is Cc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc2c(c1)OCO2)CC3.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is HNTODWIEMSPBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-12-2-3-13-9-14-6-7-21(19(14)20-16(13)8-12)26(22,23)15-4-5-17-18(10-15)25-11-24-17/h2-5,8-10H,6-7,11H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 368.41 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 20996322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).