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

C19H21N3OS — CID 3988867

IUPAC7-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol
SMILESCN1CCN(C(c2cccs2)c2ccc3cccnc3c2O)CC1
InChIInChI=1S/C19H21N3OS/c1-21-9-11-22(12-10-21)18(16-5-3-13-24-16)15-7-6-14-4-2-8-20-17(14)19(15)23/h2-8,13,18,23H,9-12H2,1H3
InChIKeyLZYJKFBBEIHIIQ-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.34
Rot. Bonds3

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

7-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol (PubChem CID 3988867) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 7-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol
PubChem CID3988867
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name7-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol
SMILESCN1CCN(C(c2cccs2)c2ccc3cccnc3c2O)CC1
InChIInChI=1S/C19H21N3OS/c1-21-9-11-22(12-10-21)18(16-5-3-13-24-16)15-7-6-14-4-2-8-20-17(14)19(15)23/h2-8,13,18,23H,9-12H2,1H3
InChIKeyLZYJKFBBEIHIIQ-UHFFFAOYSA-N
XLogP3.34
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.34
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-methylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol (CID 3988867) is 7-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol is CN1CCN(C(c2cccs2)c2ccc3cccnc3c2O)CC1.
What is the InChIKey of 7-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol?
The InChIKey is LZYJKFBBEIHIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-21-9-11-22(12-10-21)18(16-5-3-13-24-16)15-7-6-14-4-2-8-20-17(14)19(15)23/h2-8,13,18,23H,9-12H2,1H3.
What are the key properties of 7-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol?
7-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol has a molecular weight of 339.46 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 3988867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).