2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoline

C26H32N4O2S — CID 24790937

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoline
SMILESCc1cccc(N2CCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)CC2)c1C
InChIInChI=1S/C26H32N4O2S/c1-20-7-6-8-25(21(20)2)28-15-17-29(18-16-28)26-12-9-22-19-23(10-11-24(22)27-26)33(31,32)30-13-4-3-5-14-30/h6-12,19H,3-5,13-18H2,1-2H3
InChIKeyLRUHKXOGHFFZSW-UHFFFAOYSA-N
MW464.64 g/mol
LogP4.35
Rot. Bonds4

About 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoline

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoline (PubChem CID 24790937) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoline.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoline
PubChem CID24790937
Molecular FormulaC26H32N4O2S
Molecular Weight464.64 g/mol
Exact Mass464.22
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoline
SMILESCc1cccc(N2CCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)CC2)c1C
InChIInChI=1S/C26H32N4O2S/c1-20-7-6-8-25(21(20)2)28-15-17-29(18-16-28)26-12-9-22-19-23(10-11-24(22)27-26)33(31,32)30-13-4-3-5-14-30/h6-12,19H,3-5,13-18H2,1-2H3
InChIKeyLRUHKXOGHFFZSW-UHFFFAOYSA-N
XLogP4.35
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoline?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoline (CID 24790937) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoline.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoline?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoline is Cc1cccc(N2CCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)CC2)c1C.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoline?
The InChIKey is LRUHKXOGHFFZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2S/c1-20-7-6-8-25(21(20)2)28-15-17-29(18-16-28)26-12-9-22-19-23(10-11-24(22)27-26)33(31,32)30-13-4-3-5-14-30/h6-12,19H,3-5,13-18H2,1-2H3.
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoline?
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoline has a molecular weight of 464.64 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoline is sourced from PubChem (CID 24790937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).