7-[piperidin-1-yl(thiophen-2-yl)methyl]quinolin-8-ol

C19H20N2OS — CID 4051520

IUPAC7-[piperidin-1-yl(thiophen-2-yl)methyl]quinolin-8-ol
SMILESOc1c(C(c2cccs2)N2CCCCC2)ccc2cccnc12
InChIInChI=1S/C19H20N2OS/c22-19-15(9-8-14-6-4-10-20-17(14)19)18(16-7-5-13-23-16)21-11-2-1-3-12-21/h4-10,13,18,22H,1-3,11-12H2
InChIKeySEQAWAGFJKHOJR-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.58
Rot. Bonds3

About 7-[piperidin-1-yl(thiophen-2-yl)methyl]quinolin-8-ol

7-[piperidin-1-yl(thiophen-2-yl)methyl]quinolin-8-ol (PubChem CID 4051520) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 7-[piperidin-1-yl(thiophen-2-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[piperidin-1-yl(thiophen-2-yl)methyl]quinolin-8-ol
PubChem CID4051520
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name7-[piperidin-1-yl(thiophen-2-yl)methyl]quinolin-8-ol
SMILESOc1c(C(c2cccs2)N2CCCCC2)ccc2cccnc12
InChIInChI=1S/C19H20N2OS/c22-19-15(9-8-14-6-4-10-20-17(14)19)18(16-7-5-13-23-16)21-11-2-1-3-12-21/h4-10,13,18,22H,1-3,11-12H2
InChIKeySEQAWAGFJKHOJR-UHFFFAOYSA-N
XLogP4.58
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[piperidin-1-yl(thiophen-2-yl)methyl]quinolin-8-ol?
The IUPAC name of 7-[piperidin-1-yl(thiophen-2-yl)methyl]quinolin-8-ol (CID 4051520) is 7-[piperidin-1-yl(thiophen-2-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[piperidin-1-yl(thiophen-2-yl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[piperidin-1-yl(thiophen-2-yl)methyl]quinolin-8-ol is Oc1c(C(c2cccs2)N2CCCCC2)ccc2cccnc12.
What is the InChIKey of 7-[piperidin-1-yl(thiophen-2-yl)methyl]quinolin-8-ol?
The InChIKey is SEQAWAGFJKHOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c22-19-15(9-8-14-6-4-10-20-17(14)19)18(16-7-5-13-23-16)21-11-2-1-3-12-21/h4-10,13,18,22H,1-3,11-12H2.
What are the key properties of 7-[piperidin-1-yl(thiophen-2-yl)methyl]quinolin-8-ol?
7-[piperidin-1-yl(thiophen-2-yl)methyl]quinolin-8-ol has a molecular weight of 324.45 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[piperidin-1-yl(thiophen-2-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 4051520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).