5-[3-[methyl(prop-2-ynyl)amino]propyl]quinolin-8-ol;hydrochloride

C16H19ClN2O — CID 87133859

IUPAC5-[3-[methyl(prop-2-ynyl)amino]propyl]quinolin-8-ol;hydrochloride
SMILESC#CCN(C)CCCc1ccc(O)c2ncccc12.Cl
InChIInChI=1S/C16H18N2O.ClH/c1-3-11-18(2)12-5-6-13-8-9-15(19)16-14(13)7-4-10-17-16;/h1,4,7-10,19H,5-6,11-12H2,2H3;1H
InChIKeyMLBHBZUCDBWRGT-UHFFFAOYSA-N
MW290.79 g/mol
LogP2.86
Rot. Bonds5

About 5-[3-[methyl(prop-2-ynyl)amino]propyl]quinolin-8-ol;hydrochloride

5-[3-[methyl(prop-2-ynyl)amino]propyl]quinolin-8-ol;hydrochloride (PubChem CID 87133859) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 5-[3-[methyl(prop-2-ynyl)amino]propyl]quinolin-8-ol;hydrochloride.

Molecular Properties

Compound Name5-[3-[methyl(prop-2-ynyl)amino]propyl]quinolin-8-ol;hydrochloride
PubChem CID87133859
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name5-[3-[methyl(prop-2-ynyl)amino]propyl]quinolin-8-ol;hydrochloride
SMILESC#CCN(C)CCCc1ccc(O)c2ncccc12.Cl
InChIInChI=1S/C16H18N2O.ClH/c1-3-11-18(2)12-5-6-13-8-9-15(19)16-14(13)7-4-10-17-16;/h1,4,7-10,19H,5-6,11-12H2,2H3;1H
InChIKeyMLBHBZUCDBWRGT-UHFFFAOYSA-N
XLogP2.86
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-[methyl(prop-2-ynyl)amino]propyl]quinolin-8-ol;hydrochloride?
The IUPAC name of 5-[3-[methyl(prop-2-ynyl)amino]propyl]quinolin-8-ol;hydrochloride (CID 87133859) is 5-[3-[methyl(prop-2-ynyl)amino]propyl]quinolin-8-ol;hydrochloride.
What is the SMILES notation for 5-[3-[methyl(prop-2-ynyl)amino]propyl]quinolin-8-ol;hydrochloride?
The canonical SMILES for 5-[3-[methyl(prop-2-ynyl)amino]propyl]quinolin-8-ol;hydrochloride is C#CCN(C)CCCc1ccc(O)c2ncccc12.Cl.
What is the InChIKey of 5-[3-[methyl(prop-2-ynyl)amino]propyl]quinolin-8-ol;hydrochloride?
The InChIKey is MLBHBZUCDBWRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.ClH/c1-3-11-18(2)12-5-6-13-8-9-15(19)16-14(13)7-4-10-17-16;/h1,4,7-10,19H,5-6,11-12H2,2H3;1H.
What are the key properties of 5-[3-[methyl(prop-2-ynyl)amino]propyl]quinolin-8-ol;hydrochloride?
5-[3-[methyl(prop-2-ynyl)amino]propyl]quinolin-8-ol;hydrochloride has a molecular weight of 290.79 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[methyl(prop-2-ynyl)amino]propyl]quinolin-8-ol;hydrochloride is sourced from PubChem (CID 87133859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).