1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline

C21H19FN4O2S — CID 90469115

IUPAC1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1cccc(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C21H19FN4O2S/c22-15-4-3-5-16(14-15)29(27,28)26-11-8-18-20(26)17-6-1-2-7-19(17)24-21(18)25-12-9-23-10-13-25/h1-8,11,14,23H,9-10,12-13H2
InChIKeyQNKGTIWNFNPEJL-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.98
Rot. Bonds3

About 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline

1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (PubChem CID 90469115) has the molecular formula C21H19FN4O2S and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
PubChem CID90469115
Molecular FormulaC21H19FN4O2S
Molecular Weight410.47 g/mol
Exact Mass410.12
IUPAC Name1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1cccc(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C21H19FN4O2S/c22-15-4-3-5-16(14-15)29(27,28)26-11-8-18-20(26)17-6-1-2-7-19(17)24-21(18)25-12-9-23-10-13-25/h1-8,11,14,23H,9-10,12-13H2
InChIKeyQNKGTIWNFNPEJL-UHFFFAOYSA-N
XLogP2.98
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (CID 90469115) is 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is O=S(=O)(c1cccc(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The InChIKey is QNKGTIWNFNPEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2S/c22-15-4-3-5-16(14-15)29(27,28)26-11-8-18-20(26)17-6-1-2-7-19(17)24-21(18)25-12-9-23-10-13-25/h1-8,11,14,23H,9-10,12-13H2.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline has a molecular weight of 410.47 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 90469115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).