1-(benzenesulfonyl)-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline

C18H16N2O3S — CID 20996447

IUPAC1-(benzenesulfonyl)-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccccc1)CC3
InChIInChI=1S/C18H16N2O3S/c1-23-15-8-7-13-11-14-9-10-20(18(14)19-17(13)12-15)24(21,22)16-5-3-2-4-6-16/h2-8,11-12H,9-10H2,1H3
InChIKeyLCDBQHQUHXWHDH-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.99
Rot. Bonds3

About 1-(benzenesulfonyl)-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline

1-(benzenesulfonyl)-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 20996447) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-(benzenesulfonyl)-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID20996447
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name1-(benzenesulfonyl)-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccccc1)CC3
InChIInChI=1S/C18H16N2O3S/c1-23-15-8-7-13-11-14-9-10-20(18(14)19-17(13)12-15)24(21,22)16-5-3-2-4-6-16/h2-8,11-12H,9-10H2,1H3
InChIKeyLCDBQHQUHXWHDH-UHFFFAOYSA-N
XLogP2.99
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-(benzenesulfonyl)-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline (CID 20996447) is 1-(benzenesulfonyl)-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-(benzenesulfonyl)-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-(benzenesulfonyl)-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline is COc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccccc1)CC3.
What is the InChIKey of 1-(benzenesulfonyl)-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is LCDBQHQUHXWHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-23-15-8-7-13-11-14-9-10-20(18(14)19-17(13)12-15)24(21,22)16-5-3-2-4-6-16/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline?
1-(benzenesulfonyl)-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 340.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 20996447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).