7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol

C24H23N3O3S — CID 46837185

IUPAC7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESO=S(=O)(c1cccc2ccccc12)N1CCN(Cc2ccc3cccnc3c2O)CC1
InChIInChI=1S/C24H23N3O3S/c28-24-20(11-10-19-7-4-12-25-23(19)24)17-26-13-15-27(16-14-26)31(29,30)22-9-3-6-18-5-1-2-8-21(18)22/h1-12,28H,13-17H2
InChIKeyGGIPYWAQEINZFD-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.60
Rot. Bonds4

About 7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol

7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol (PubChem CID 46837185) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol
PubChem CID46837185
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESO=S(=O)(c1cccc2ccccc12)N1CCN(Cc2ccc3cccnc3c2O)CC1
InChIInChI=1S/C24H23N3O3S/c28-24-20(11-10-19-7-4-12-25-23(19)24)17-26-13-15-27(16-14-26)31(29,30)22-9-3-6-18-5-1-2-8-21(18)22/h1-12,28H,13-17H2
InChIKeyGGIPYWAQEINZFD-UHFFFAOYSA-N
XLogP3.60
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol (CID 46837185) is 7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol is O=S(=O)(c1cccc2ccccc12)N1CCN(Cc2ccc3cccnc3c2O)CC1.
What is the InChIKey of 7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol?
The InChIKey is GGIPYWAQEINZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c28-24-20(11-10-19-7-4-12-25-23(19)24)17-26-13-15-27(16-14-26)31(29,30)22-9-3-6-18-5-1-2-8-21(18)22/h1-12,28H,13-17H2.
What are the key properties of 7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol?
7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol has a molecular weight of 433.53 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 46837185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).