1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline

C25H22N4O2S — CID 90469252

IUPAC1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1cccc2ccccc12)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C25H22N4O2S/c30-32(31,23-11-5-7-18-6-1-2-8-19(18)23)29-15-12-21-24(29)20-9-3-4-10-22(20)27-25(21)28-16-13-26-14-17-28/h1-12,15,26H,13-14,16-17H2
InChIKeyILYQAEVYAIKYNS-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.99
Rot. Bonds3

About 1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline

1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (PubChem CID 90469252) has the molecular formula C25H22N4O2S and a molecular weight of 442.54 g/mol. Its IUPAC name is 1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
PubChem CID90469252
Molecular FormulaC25H22N4O2S
Molecular Weight442.54 g/mol
Exact Mass442.15
IUPAC Name1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1cccc2ccccc12)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C25H22N4O2S/c30-32(31,23-11-5-7-18-6-1-2-8-19(18)23)29-15-12-21-24(29)20-9-3-4-10-22(20)27-25(21)28-16-13-26-14-17-28/h1-12,15,26H,13-14,16-17H2
InChIKeyILYQAEVYAIKYNS-UHFFFAOYSA-N
XLogP3.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The IUPAC name of 1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (CID 90469252) is 1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is O=S(=O)(c1cccc2ccccc12)n1ccc2c(N3CCNCC3)nc3ccccc3c21.
What is the InChIKey of 1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The InChIKey is ILYQAEVYAIKYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S/c30-32(31,23-11-5-7-18-6-1-2-8-19(18)23)29-15-12-21-24(29)20-9-3-4-10-22(20)27-25(21)28-16-13-26-14-17-28/h1-12,15,26H,13-14,16-17H2.
What are the key properties of 1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline has a molecular weight of 442.54 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 90469252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).