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

C22H22N4O2S — CID 90469187

IUPAC1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESCc1cccc(S(=O)(=O)n2ccc3c(N4CCNCC4)nc4ccccc4c32)c1
InChIInChI=1S/C22H22N4O2S/c1-16-5-4-6-17(15-16)29(27,28)26-12-9-19-21(26)18-7-2-3-8-20(18)24-22(19)25-13-10-23-11-14-25/h2-9,12,15,23H,10-11,13-14H2,1H3
InChIKeyIPEQZSDWFQRQIF-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.14
Rot. Bonds3

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

1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (PubChem CID 90469187) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
PubChem CID90469187
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESCc1cccc(S(=O)(=O)n2ccc3c(N4CCNCC4)nc4ccccc4c32)c1
InChIInChI=1S/C22H22N4O2S/c1-16-5-4-6-17(15-16)29(27,28)26-12-9-19-21(26)18-7-2-3-8-20(18)24-22(19)25-13-10-23-11-14-25/h2-9,12,15,23H,10-11,13-14H2,1H3
InChIKeyIPEQZSDWFQRQIF-UHFFFAOYSA-N
XLogP3.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.14
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
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
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
3-[4-[2-[(2S)-1-quinolin-5-ylsulfonylpyrrolidin-2-yl]ethyl]piperazin-1-yl]-1,2-benzothiazole
CID 145985533
N-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide
CID 138455164

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (CID 90469187) is 1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is Cc1cccc(S(=O)(=O)n2ccc3c(N4CCNCC4)nc4ccccc4c32)c1.
What is the InChIKey of 1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The InChIKey is IPEQZSDWFQRQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-16-5-4-6-17(15-16)29(27,28)26-12-9-19-21(26)18-7-2-3-8-20(18)24-22(19)25-13-10-23-11-14-25/h2-9,12,15,23H,10-11,13-14H2,1H3.
What are the key properties of 1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline has a molecular weight of 406.51 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 90469187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).