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

C21H19FN4O2S — CID 90469116

IUPAC1-(4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1ccc(F)cc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C21H19FN4O2S/c22-15-5-7-16(8-6-15)29(27,28)26-12-9-18-20(26)17-3-1-2-4-19(17)24-21(18)25-13-10-23-11-14-25/h1-9,12,23H,10-11,13-14H2
InChIKeySOGRZICUNULLLI-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.98
Rot. Bonds3

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

1-(4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (PubChem CID 90469116) has the molecular formula C21H19FN4O2S and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
PubChem CID90469116
Molecular FormulaC21H19FN4O2S
Molecular Weight410.47 g/mol
Exact Mass410.12
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1ccc(F)cc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C21H19FN4O2S/c22-15-5-7-16(8-6-15)29(27,28)26-12-9-18-20(26)17-3-1-2-4-19(17)24-21(18)25-13-10-23-11-14-25/h1-9,12,23H,10-11,13-14H2
InChIKeySOGRZICUNULLLI-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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Related Compounds

5-(5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl)pyridine-3-sulfonamide
CID 51030730
N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
CID 16750106
(S)-6-(3-cyano-6-ethyl-5-fluoro-1-(pyrimidin-2-yl)-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 66731056
1-(3-Chlorophenyl)sulfonyl-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline
CID 90469114
2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide
CID 122690681
4-[4-(2,5-Difluorophenyl)sulfonylpiperazin-1-yl]quinazoline
CID 9207874
N-[2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethyl]methanesulfonamide
CID 44431997
11-(3-Fluorophenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
CID 53303985
N-(3-(3-(9H-purin-6-yl)pyridin-2-ylamino)-2,4-difluorophenyl)pyridin-3-sulfonamide
CID 57345328
CID 59618681
CID 59618681
1-(Benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine
CID 67156504
N-methyl-3-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide
CID 70649109

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (CID 90469116) is 1-(4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is O=S(=O)(c1ccc(F)cc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The InChIKey is SOGRZICUNULLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2S/c22-15-5-7-16(8-6-15)29(27,28)26-12-9-18-20(26)17-3-1-2-4-19(17)24-21(18)25-13-10-23-11-14-25/h1-9,12,23H,10-11,13-14H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
1-(4-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-(4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 90469116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).