5-[(4-prop-2-ynylpiperazin-1-yl)methyl]quinolin-8-ol

C17H19N3O — CID 6918819

IUPAC5-[(4-prop-2-ynylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESC#CCN1CCN(Cc2ccc(O)c3ncccc23)CC1
InChIInChI=1S/C17H19N3O/c1-2-8-19-9-11-20(12-10-19)13-14-5-6-16(21)17-15(14)4-3-7-18-17/h1,3-7,21H,8-13H2
InChIKeyJWUOZHTYFQHGAB-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.69
Rot. Bonds3

About 5-[(4-prop-2-ynylpiperazin-1-yl)methyl]quinolin-8-ol

5-[(4-prop-2-ynylpiperazin-1-yl)methyl]quinolin-8-ol (PubChem CID 6918819) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-[(4-prop-2-ynylpiperazin-1-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(4-prop-2-ynylpiperazin-1-yl)methyl]quinolin-8-ol
PubChem CID6918819
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-[(4-prop-2-ynylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESC#CCN1CCN(Cc2ccc(O)c3ncccc23)CC1
InChIInChI=1S/C17H19N3O/c1-2-8-19-9-11-20(12-10-19)13-14-5-6-16(21)17-15(14)4-3-7-18-17/h1,3-7,21H,8-13H2
InChIKeyJWUOZHTYFQHGAB-UHFFFAOYSA-N
XLogP1.69
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-prop-2-ynylpiperazin-1-yl)methyl]quinolin-8-ol?
The IUPAC name of 5-[(4-prop-2-ynylpiperazin-1-yl)methyl]quinolin-8-ol (CID 6918819) is 5-[(4-prop-2-ynylpiperazin-1-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 5-[(4-prop-2-ynylpiperazin-1-yl)methyl]quinolin-8-ol?
The canonical SMILES for 5-[(4-prop-2-ynylpiperazin-1-yl)methyl]quinolin-8-ol is C#CCN1CCN(Cc2ccc(O)c3ncccc23)CC1.
What is the InChIKey of 5-[(4-prop-2-ynylpiperazin-1-yl)methyl]quinolin-8-ol?
The InChIKey is JWUOZHTYFQHGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-8-19-9-11-20(12-10-19)13-14-5-6-16(21)17-15(14)4-3-7-18-17/h1,3-7,21H,8-13H2.
What are the key properties of 5-[(4-prop-2-ynylpiperazin-1-yl)methyl]quinolin-8-ol?
5-[(4-prop-2-ynylpiperazin-1-yl)methyl]quinolin-8-ol has a molecular weight of 281.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-prop-2-ynylpiperazin-1-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 6918819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).