1-(3-chlorophenyl)sulfonyl-4-piperidin-1-ylpyrrolo[3,2-c]quinoline

C22H20ClN3O2S — CID 90469583

IUPAC1-(3-chlorophenyl)sulfonyl-4-piperidin-1-ylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1cccc(Cl)c1)n1ccc2c(N3CCCCC3)nc3ccccc3c21
InChIInChI=1S/C22H20ClN3O2S/c23-16-7-6-8-17(15-16)29(27,28)26-14-11-19-21(26)18-9-2-3-10-20(18)24-22(19)25-12-4-1-5-13-25/h2-3,6-11,14-15H,1,4-5,12-13H2
InChIKeyPNHLLLSBCOBHLB-UHFFFAOYSA-N
MW425.94 g/mol
LogP5.07
Rot. Bonds3

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

1-(3-chlorophenyl)sulfonyl-4-piperidin-1-ylpyrrolo[3,2-c]quinoline (PubChem CID 90469583) has the molecular formula C22H20ClN3O2S and a molecular weight of 425.94 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-4-piperidin-1-ylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-4-piperidin-1-ylpyrrolo[3,2-c]quinoline
PubChem CID90469583
Molecular FormulaC22H20ClN3O2S
Molecular Weight425.94 g/mol
Exact Mass425.10
IUPAC Name1-(3-chlorophenyl)sulfonyl-4-piperidin-1-ylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1cccc(Cl)c1)n1ccc2c(N3CCCCC3)nc3ccccc3c21
InChIInChI=1S/C22H20ClN3O2S/c23-16-7-6-8-17(15-16)29(27,28)26-14-11-19-21(26)18-9-2-3-10-20(18)24-22(19)25-12-4-1-5-13-25/h2-3,6-11,14-15H,1,4-5,12-13H2
InChIKeyPNHLLLSBCOBHLB-UHFFFAOYSA-N
XLogP5.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.94
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-piperidin-1-ylpyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-piperidin-1-ylpyrrolo[3,2-c]quinoline (CID 90469583) is 1-(3-chlorophenyl)sulfonyl-4-piperidin-1-ylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-4-piperidin-1-ylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-4-piperidin-1-ylpyrrolo[3,2-c]quinoline is O=S(=O)(c1cccc(Cl)c1)n1ccc2c(N3CCCCC3)nc3ccccc3c21.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-4-piperidin-1-ylpyrrolo[3,2-c]quinoline?
The InChIKey is PNHLLLSBCOBHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2S/c23-16-7-6-8-17(15-16)29(27,28)26-14-11-19-21(26)18-9-2-3-10-20(18)24-22(19)25-12-4-1-5-13-25/h2-3,6-11,14-15H,1,4-5,12-13H2.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-4-piperidin-1-ylpyrrolo[3,2-c]quinoline?
1-(3-chlorophenyl)sulfonyl-4-piperidin-1-ylpyrrolo[3,2-c]quinoline has a molecular weight of 425.94 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-4-piperidin-1-ylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 90469583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).