1-(4-fluorophenyl)sulfonyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline

C18H15FN2O2S — CID 20996246

IUPAC1-(4-fluorophenyl)sulfonyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCc1ccc2nc3c(cc2c1)CCN3S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2S/c1-12-2-7-17-14(10-12)11-13-8-9-21(18(13)20-17)24(22,23)16-5-3-15(19)4-6-16/h2-7,10-11H,8-9H2,1H3
InChIKeyCZFLVJGKLIUICI-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.43
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline

1-(4-fluorophenyl)sulfonyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 20996246) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID20996246
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name1-(4-fluorophenyl)sulfonyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCc1ccc2nc3c(cc2c1)CCN3S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2S/c1-12-2-7-17-14(10-12)11-13-8-9-21(18(13)20-17)24(22,23)16-5-3-15(19)4-6-16/h2-7,10-11H,8-9H2,1H3
InChIKeyCZFLVJGKLIUICI-UHFFFAOYSA-N
XLogP3.43
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline (CID 20996246) is 1-(4-fluorophenyl)sulfonyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline is Cc1ccc2nc3c(cc2c1)CCN3S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is CZFLVJGKLIUICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-12-2-7-17-14(10-12)11-13-8-9-21(18(13)20-17)24(22,23)16-5-3-15(19)4-6-16/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
1-(4-fluorophenyl)sulfonyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 342.40 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 20996246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).