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

C20H23N3OS — CID 3568261

IUPAC7-[(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol
SMILESCCN1CCN(C(c2cccs2)c2ccc3cccnc3c2O)CC1
InChIInChI=1S/C20H23N3OS/c1-2-22-10-12-23(13-11-22)19(17-6-4-14-25-17)16-8-7-15-5-3-9-21-18(15)20(16)24/h3-9,14,19,24H,2,10-13H2,1H3
InChIKeyVIYYFLSFUIKSSY-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.73
Rot. Bonds4

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

7-[(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol (PubChem CID 3568261) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 7-[(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol
PubChem CID3568261
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name7-[(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol
SMILESCCN1CCN(C(c2cccs2)c2ccc3cccnc3c2O)CC1
InChIInChI=1S/C20H23N3OS/c1-2-22-10-12-23(13-11-22)19(17-6-4-14-25-17)16-8-7-15-5-3-9-21-18(15)20(16)24/h3-9,14,19,24H,2,10-13H2,1H3
InChIKeyVIYYFLSFUIKSSY-UHFFFAOYSA-N
XLogP3.73
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol with MolForge

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Related Compounds

7-(Piperidin-1-ylmethyl)quinolin-8-ol
CID 245742
7-[(4-Ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 3384730
7-[Morpholin-4-yl(pyridin-2-yl)methyl]quinolin-8-ol
CID 2999043
7-[[4-(2-Hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]quinolin-8-ol
CID 3243517
7-[(4-Methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 3878766
7-[Piperidin-1-yl(pyridin-4-yl)methyl]quinolin-8-ol
CID 3861919
7-[[4-[(8-Hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
CID 1351544
N-[(8-hydroxy-7-quinolinyl)(2-thienyl)methyl]acetamide
CID 2921667
N-[(8-hydroxy-7-quinolinyl)(2-thienyl)methyl]-3-methylbutanamide
CID 2927523
2-Methyl-7-[[(6-methyl-2-pyridinyl)amino](5-methyl-2-thienyl)methyl]-8-quinolinol
CID 2949438
7-((4-Methylpiperazin-1-yl)(pyridin-3-yl)methyl)quinolin-8-ol
CID 3000114
N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]propanamide
CID 3136123

Frequently Asked Questions

What is the IUPAC name of 7-[(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol (CID 3568261) is 7-[(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol is CCN1CCN(C(c2cccs2)c2ccc3cccnc3c2O)CC1.
What is the InChIKey of 7-[(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol?
The InChIKey is VIYYFLSFUIKSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-2-22-10-12-23(13-11-22)19(17-6-4-14-25-17)16-8-7-15-5-3-9-21-18(15)20(16)24/h3-9,14,19,24H,2,10-13H2,1H3.
What are the key properties of 7-[(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol?
7-[(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol has a molecular weight of 353.49 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 3568261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).