1-(3-chlorophenyl)sulfonyl-7-fluoro-4-piperazin-1-ylpyrrolo[3,2-c]quinoline

C21H18ClFN4O2S — CID 90469517

IUPAC1-(3-chlorophenyl)sulfonyl-7-fluoro-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1cccc(Cl)c1)n1ccc2c(N3CCNCC3)nc3cc(F)ccc3c21
InChIInChI=1S/C21H18ClFN4O2S/c22-14-2-1-3-16(12-14)30(28,29)27-9-6-18-20(27)17-5-4-15(23)13-19(17)25-21(18)26-10-7-24-8-11-26/h1-6,9,12-13,24H,7-8,10-11H2
InChIKeyVGVWUUQOYREOFF-UHFFFAOYSA-N
MW444.92 g/mol
LogP3.63
Rot. Bonds3

About 1-(3-chlorophenyl)sulfonyl-7-fluoro-4-piperazin-1-ylpyrrolo[3,2-c]quinoline

1-(3-chlorophenyl)sulfonyl-7-fluoro-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (PubChem CID 90469517) has the molecular formula C21H18ClFN4O2S and a molecular weight of 444.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-7-fluoro-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-7-fluoro-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
PubChem CID90469517
Molecular FormulaC21H18ClFN4O2S
Molecular Weight444.92 g/mol
Exact Mass444.08
IUPAC Name1-(3-chlorophenyl)sulfonyl-7-fluoro-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1cccc(Cl)c1)n1ccc2c(N3CCNCC3)nc3cc(F)ccc3c21
InChIInChI=1S/C21H18ClFN4O2S/c22-14-2-1-3-16(12-14)30(28,29)27-9-6-18-20(27)17-5-4-15(23)13-19(17)25-21(18)26-10-7-24-8-11-26/h1-6,9,12-13,24H,7-8,10-11H2
InChIKeyVGVWUUQOYREOFF-UHFFFAOYSA-N
XLogP3.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-7-fluoro-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-7-fluoro-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (CID 90469517) is 1-(3-chlorophenyl)sulfonyl-7-fluoro-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-7-fluoro-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-7-fluoro-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is O=S(=O)(c1cccc(Cl)c1)n1ccc2c(N3CCNCC3)nc3cc(F)ccc3c21.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-7-fluoro-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The InChIKey is VGVWUUQOYREOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O2S/c22-14-2-1-3-16(12-14)30(28,29)27-9-6-18-20(27)17-5-4-15(23)13-19(17)25-21(18)26-10-7-24-8-11-26/h1-6,9,12-13,24H,7-8,10-11H2.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-7-fluoro-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
1-(3-chlorophenyl)sulfonyl-7-fluoro-4-piperazin-1-ylpyrrolo[3,2-c]quinoline has a molecular weight of 444.92 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-7-fluoro-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 90469517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).