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

C21H18F2N4O2S — CID 90469118

IUPAC1-(3,4-difluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1ccc(F)c(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C21H18F2N4O2S/c22-17-6-5-14(13-18(17)23)30(28,29)27-10-7-16-20(27)15-3-1-2-4-19(15)25-21(16)26-11-8-24-9-12-26/h1-7,10,13,24H,8-9,11-12H2
InChIKeyWCTUIEGUPILFAV-UHFFFAOYSA-N
MW428.46 g/mol
LogP3.11
Rot. Bonds3

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

1-(3,4-difluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (PubChem CID 90469118) has the molecular formula C21H18F2N4O2S and a molecular weight of 428.46 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
PubChem CID90469118
Molecular FormulaC21H18F2N4O2S
Molecular Weight428.46 g/mol
Exact Mass428.11
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1ccc(F)c(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C21H18F2N4O2S/c22-17-6-5-14(13-18(17)23)30(28,29)27-10-7-16-20(27)15-3-1-2-4-19(15)25-21(16)26-11-8-24-9-12-26/h1-7,10,13,24H,8-9,11-12H2
InChIKeyWCTUIEGUPILFAV-UHFFFAOYSA-N
XLogP3.11
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (CID 90469118) is 1-(3,4-difluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is O=S(=O)(c1ccc(F)c(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The InChIKey is WCTUIEGUPILFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2S/c22-17-6-5-14(13-18(17)23)30(28,29)27-10-7-16-20(27)15-3-1-2-4-19(15)25-21(16)26-11-8-24-9-12-26/h1-7,10,13,24H,8-9,11-12H2.
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
1-(3,4-difluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline has a molecular weight of 428.46 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 90469118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).