6-(1-methoxypropa-1,2-dienyl)quinolin-8-amine

C13H12N2O — CID 176529283

IUPAC6-(1-methoxypropa-1,2-dienyl)quinolin-8-amine
SMILESC=C=C(OC)c1cc(N)c2ncccc2c1
InChIInChI=1S/C13H12N2O/c1-3-12(16-2)10-7-9-5-4-6-15-13(9)11(14)8-10/h4-8H,1,14H2,2H3
InChIKeyZDKNDYGCAQCOJG-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.59
Rot. Bonds2

About 6-(1-methoxypropa-1,2-dienyl)quinolin-8-amine

6-(1-methoxypropa-1,2-dienyl)quinolin-8-amine (PubChem CID 176529283) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 6-(1-methoxypropa-1,2-dienyl)quinolin-8-amine.

Molecular Properties

Compound Name6-(1-methoxypropa-1,2-dienyl)quinolin-8-amine
PubChem CID176529283
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name6-(1-methoxypropa-1,2-dienyl)quinolin-8-amine
SMILESC=C=C(OC)c1cc(N)c2ncccc2c1
InChIInChI=1S/C13H12N2O/c1-3-12(16-2)10-7-9-5-4-6-15-13(9)11(14)8-10/h4-8H,1,14H2,2H3
InChIKeyZDKNDYGCAQCOJG-UHFFFAOYSA-N
XLogP2.59
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxypropa-1,2-dienyl)quinolin-8-amine?
The IUPAC name of 6-(1-methoxypropa-1,2-dienyl)quinolin-8-amine (CID 176529283) is 6-(1-methoxypropa-1,2-dienyl)quinolin-8-amine.
What is the SMILES notation for 6-(1-methoxypropa-1,2-dienyl)quinolin-8-amine?
The canonical SMILES for 6-(1-methoxypropa-1,2-dienyl)quinolin-8-amine is C=C=C(OC)c1cc(N)c2ncccc2c1.
What is the InChIKey of 6-(1-methoxypropa-1,2-dienyl)quinolin-8-amine?
The InChIKey is ZDKNDYGCAQCOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-3-12(16-2)10-7-9-5-4-6-15-13(9)11(14)8-10/h4-8H,1,14H2,2H3.
What are the key properties of 6-(1-methoxypropa-1,2-dienyl)quinolin-8-amine?
6-(1-methoxypropa-1,2-dienyl)quinolin-8-amine has a molecular weight of 212.25 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxypropa-1,2-dienyl)quinolin-8-amine is sourced from PubChem (CID 176529283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).