5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol

C14H14N2O — CID 6918822

IUPAC5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol
SMILESC#CCN(C)Cc1ccc(O)c2ncccc12
InChIInChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3
InChIKeyFQFLPZZATVCNLA-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.01
Rot. Bonds3

About 5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol

5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol (PubChem CID 6918822) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol
PubChem CID6918822
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol
SMILESC#CCN(C)Cc1ccc(O)c2ncccc12
InChIInChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3
InChIKeyFQFLPZZATVCNLA-UHFFFAOYSA-N
XLogP2.01
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.01
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-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol?
The IUPAC name of 5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol (CID 6918822) is 5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol is C#CCN(C)Cc1ccc(O)c2ncccc12.
What is the InChIKey of 5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol?
The InChIKey is FQFLPZZATVCNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3.
What are the key properties of 5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol?
5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol has a molecular weight of 226.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 6918822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).