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

C21H20N4O2S — CID 90469046

IUPAC1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C21H20N4O2S/c26-28(27,16-6-2-1-3-7-16)25-13-10-18-20(25)17-8-4-5-9-19(17)23-21(18)24-14-11-22-12-15-24/h1-10,13,22H,11-12,14-15H2
InChIKeyUHABTHCQCIQHSP-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.84
Rot. Bonds3

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

1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (PubChem CID 90469046) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
PubChem CID90469046
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C21H20N4O2S/c26-28(27,16-6-2-1-3-7-16)25-13-10-18-20(25)17-8-4-5-9-19(17)23-21(18)24-14-11-22-12-15-24/h1-10,13,22H,11-12,14-15H2
InChIKeyUHABTHCQCIQHSP-UHFFFAOYSA-N
XLogP2.84
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.84
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
1-(Phenylsulfonyl)-4-(1-piperazinyl)-1h-indole
CID 10154392
N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
CID 16750106
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
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
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
1-(3-chlorophenyl)sulfonyl-N-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-c]quinolin-4-amine
CID 90468813
1-(3-Fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469115
3-[4-[2-[(2R)-1-quinolin-5-ylsulfonylpyrrolidin-2-yl]ethyl]piperazin-1-yl]-1,2-benzothiazole
CID 118626161

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (CID 90469046) is 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is O=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21.
What is the InChIKey of 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The InChIKey is UHABTHCQCIQHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c26-28(27,16-6-2-1-3-7-16)25-13-10-18-20(25)17-8-4-5-9-19(17)23-21(18)24-14-11-22-12-15-24/h1-10,13,22H,11-12,14-15H2.
What are the key properties of 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline has a molecular weight of 392.48 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 90469046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).