5-[2,2,2-trifluoro-1-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol

C15H13F3N2O — CID 56832886

IUPAC5-[2,2,2-trifluoro-1-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol
SMILESC#CCN(C)C(c1ccc(O)c2ncccc12)C(F)(F)F
InChIInChI=1S/C15H13F3N2O/c1-3-9-20(2)14(15(16,17)18)11-6-7-12(21)13-10(11)5-4-8-19-13/h1,4-8,14,21H,9H2,2H3
InChIKeyNUUNQJRZGZUBMT-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.11
Rot. Bonds3

About 5-[2,2,2-trifluoro-1-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol

5-[2,2,2-trifluoro-1-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol (PubChem CID 56832886) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 5-[2,2,2-trifluoro-1-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[2,2,2-trifluoro-1-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol
PubChem CID56832886
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name5-[2,2,2-trifluoro-1-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol
SMILESC#CCN(C)C(c1ccc(O)c2ncccc12)C(F)(F)F
InChIInChI=1S/C15H13F3N2O/c1-3-9-20(2)14(15(16,17)18)11-6-7-12(21)13-10(11)5-4-8-19-13/h1,4-8,14,21H,9H2,2H3
InChIKeyNUUNQJRZGZUBMT-UHFFFAOYSA-N
XLogP3.11
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.11
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-[2,2,2-trifluoro-1-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol?
The IUPAC name of 5-[2,2,2-trifluoro-1-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol (CID 56832886) is 5-[2,2,2-trifluoro-1-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol.
What is the SMILES notation for 5-[2,2,2-trifluoro-1-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol?
The canonical SMILES for 5-[2,2,2-trifluoro-1-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol is C#CCN(C)C(c1ccc(O)c2ncccc12)C(F)(F)F.
What is the InChIKey of 5-[2,2,2-trifluoro-1-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol?
The InChIKey is NUUNQJRZGZUBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-3-9-20(2)14(15(16,17)18)11-6-7-12(21)13-10(11)5-4-8-19-13/h1,4-8,14,21H,9H2,2H3.
What are the key properties of 5-[2,2,2-trifluoro-1-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol?
5-[2,2,2-trifluoro-1-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol has a molecular weight of 294.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2,2-trifluoro-1-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol is sourced from PubChem (CID 56832886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).