1-(4-fluorophenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline

C18H15FN2O3S — CID 20996449

IUPAC1-(4-fluorophenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(F)cc1)CC3
InChIInChI=1S/C18H15FN2O3S/c1-24-15-5-2-12-10-13-8-9-21(18(13)20-17(12)11-15)25(22,23)16-6-3-14(19)4-7-16/h2-7,10-11H,8-9H2,1H3
InChIKeyLSACQLAUVKEBAP-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.13
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline

1-(4-fluorophenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 20996449) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID20996449
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name1-(4-fluorophenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(F)cc1)CC3
InChIInChI=1S/C18H15FN2O3S/c1-24-15-5-2-12-10-13-8-9-21(18(13)20-17(12)11-15)25(22,23)16-6-3-14(19)4-7-16/h2-7,10-11H,8-9H2,1H3
InChIKeyLSACQLAUVKEBAP-UHFFFAOYSA-N
XLogP3.13
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline (CID 20996449) is 1-(4-fluorophenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline is COc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(F)cc1)CC3.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is LSACQLAUVKEBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-24-15-5-2-12-10-13-8-9-21(18(13)20-17(12)11-15)25(22,23)16-6-3-14(19)4-7-16/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline?
1-(4-fluorophenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 358.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 20996449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).