7-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]quinolin-8-ol

C20H23N3O2S — CID 3243517

IUPAC7-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]quinolin-8-ol
SMILESOCCN1CCN(C(c2cccs2)c2ccc3cccnc3c2O)CC1
InChIInChI=1S/C20H23N3O2S/c24-13-12-22-8-10-23(11-9-22)19(17-4-2-14-26-17)16-6-5-15-3-1-7-21-18(15)20(16)25/h1-7,14,19,24-25H,8-13H2
InChIKeySAAMDLFHGJROHF-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.70
Rot. Bonds5

About 7-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]quinolin-8-ol

7-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]quinolin-8-ol (PubChem CID 3243517) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 7-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]quinolin-8-ol
PubChem CID3243517
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name7-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]quinolin-8-ol
SMILESOCCN1CCN(C(c2cccs2)c2ccc3cccnc3c2O)CC1
InChIInChI=1S/C20H23N3O2S/c24-13-12-22-8-10-23(11-9-22)19(17-4-2-14-26-17)16-6-5-15-3-1-7-21-18(15)20(16)25/h1-7,14,19,24-25H,8-13H2
InChIKeySAAMDLFHGJROHF-UHFFFAOYSA-N
XLogP2.70
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]quinolin-8-ol (CID 3243517) is 7-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]quinolin-8-ol is OCCN1CCN(C(c2cccs2)c2ccc3cccnc3c2O)CC1.
What is the InChIKey of 7-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]quinolin-8-ol?
The InChIKey is SAAMDLFHGJROHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-13-12-22-8-10-23(11-9-22)19(17-4-2-14-26-17)16-6-5-15-3-1-7-21-18(15)20(16)25/h1-7,14,19,24-25H,8-13H2.
What are the key properties of 7-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]quinolin-8-ol?
7-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]quinolin-8-ol has a molecular weight of 369.49 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 3243517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).