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

C22H22N4O3S — CID 90469185

IUPAC1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESCOc1cccc(S(=O)(=O)n2ccc3c(N4CCNCC4)nc4ccccc4c32)c1
InChIInChI=1S/C22H22N4O3S/c1-29-16-5-4-6-17(15-16)30(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
InChIKeyDIMHQKRBZGSWSL-UHFFFAOYSA-N
MW422.51 g/mol
LogP2.84
Rot. Bonds4

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

1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (PubChem CID 90469185) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
PubChem CID90469185
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESCOc1cccc(S(=O)(=O)n2ccc3c(N4CCNCC4)nc4ccccc4c32)c1
InChIInChI=1S/C22H22N4O3S/c1-29-16-5-4-6-17(15-16)30(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
InChIKeyDIMHQKRBZGSWSL-UHFFFAOYSA-N
XLogP2.84
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3-Methoxyphenyl)methyl]-4-(4-methoxypiperidin-1-yl)pyrrolo[3,2-c]quinoline
CID 168278046
N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N'-(4-methoxyquinolin-2-yl)propane-1,3-diamine
CID 10185400
N-[(1-benzylindol-3-yl)methyl]-N'-(4-methoxyquinolin-2-yl)-2-methylpropane-1,3-diamine
CID 10276619
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
CID 50940068
N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
CID 50940069
11-(2-Methoxyphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
CID 53327999
11-(3-Methoxyphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
CID 53328000
11-(4-Methoxyphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
CID 53328001
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine
CID 58149816
1-(Benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469046
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 118321320
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 118321322

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (CID 90469185) is 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is COc1cccc(S(=O)(=O)n2ccc3c(N4CCNCC4)nc4ccccc4c32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The InChIKey is DIMHQKRBZGSWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-29-16-5-4-6-17(15-16)30(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-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline has a molecular weight of 422.51 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 90469185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).