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

C42H38BrClN8O4S2 — CID 158793026

IUPAC1-(2-bromophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1cccc(Cl)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21.O=S(=O)(c1ccccc1Br)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C21H19BrN4O2S.C21H19ClN4O2S/c22-17-6-2-4-8-19(17)29(27,28)26-12-9-16-20(26)15-5-1-3-7-18(15)24-21(16)25-13-10-23-11-14-25;22-15-4-3-5-16(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/h1-9,12,23H,10-11,13-14H2;1-8,11,14,23H,9-10,12-13H2
InChIKeyISMZZZSZPUIRCT-UHFFFAOYSA-N
MW898.31 g/mol
LogP7.09
Rot. Bonds6

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

1-(2-bromophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (PubChem CID 158793026) has the molecular formula C42H38BrClN8O4S2 and a molecular weight of 898.31 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
PubChem CID158793026
Molecular FormulaC42H38BrClN8O4S2
Molecular Weight898.31 g/mol
Exact Mass896.13
IUPAC Name1-(2-bromophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1cccc(Cl)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21.O=S(=O)(c1ccccc1Br)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C21H19BrN4O2S.C21H19ClN4O2S/c22-17-6-2-4-8-19(17)29(27,28)26-12-9-16-20(26)15-5-1-3-7-18(15)24-21(16)25-13-10-23-11-14-25;22-15-4-3-5-16(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/h1-9,12,23H,10-11,13-14H2;1-8,11,14,23H,9-10,12-13H2
InChIKeyISMZZZSZPUIRCT-UHFFFAOYSA-N
XLogP7.09
TPSA134.46 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500898.31
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Related Compounds

1-(3-Chlorophenyl)sulfonyl-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline
CID 90469114
1-(3-chlorophenyl)sulfonyl-N-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-c]quinolin-4-amine
CID 90468813
1-(2-Bromophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469047
1-(3,4-Dichlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469119
1-(3-Chlorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
CID 90469380
1-(2-Chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 164618879
1-(3-chlorophenyl)sulfonyl-7-fluoro-N-pyrrolidin-3-ylpyrrolo[3,2-c]quinolin-4-amine
CID 90469043
1-(3-Chlorophenyl)sulfonyl-7-fluoro-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469517
4-Piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline
CID 158118872
7-chloro-N-[4-[4-(3,5-dibromo-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine;7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine
CID 21314879
7-chloro-N-[4-[4-(3,5-dibromo-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine
CID 21314881
6-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 87597986

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (CID 158793026) is 1-(2-bromophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is O=S(=O)(c1cccc(Cl)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21.O=S(=O)(c1ccccc1Br)n1ccc2c(N3CCNCC3)nc3ccccc3c21.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The InChIKey is ISMZZZSZPUIRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4O2S.C21H19ClN4O2S/c22-17-6-2-4-8-19(17)29(27,28)26-12-9-16-20(26)15-5-1-3-7-18(15)24-21(16)25-13-10-23-11-14-25;22-15-4-3-5-16(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/h1-9,12,23H,10-11,13-14H2;1-8,11,14,23H,9-10,12-13H2.
What are the key properties of 1-(2-bromophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
1-(2-bromophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline has a molecular weight of 898.31 g/mol, XLogP of 7.09, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 158793026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).