8-[(E)-but-2-enoxy]quinolin-2-amine

C13H14N2O — CID 10036173

IUPAC8-[(E)-but-2-enoxy]quinolin-2-amine
SMILESC/C=C/COc1cccc2ccc(N)nc12
InChIInChI=1S/C13H14N2O/c1-2-3-9-16-11-6-4-5-10-7-8-12(14)15-13(10)11/h2-8H,9H2,1H3,(H2,14,15)/b3-2+
InChIKeyHYHLPCMDRXVXBT-NSCUHMNNSA-N
MW214.27 g/mol
LogP2.77
Rot. Bonds3

About 8-[(E)-but-2-enoxy]quinolin-2-amine

8-[(E)-but-2-enoxy]quinolin-2-amine (PubChem CID 10036173) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 8-[(E)-but-2-enoxy]quinolin-2-amine.

Molecular Properties

Compound Name8-[(E)-but-2-enoxy]quinolin-2-amine
PubChem CID10036173
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name8-[(E)-but-2-enoxy]quinolin-2-amine
SMILESC/C=C/COc1cccc2ccc(N)nc12
InChIInChI=1S/C13H14N2O/c1-2-3-9-16-11-6-4-5-10-7-8-12(14)15-13(10)11/h2-8H,9H2,1H3,(H2,14,15)/b3-2+
InChIKeyHYHLPCMDRXVXBT-NSCUHMNNSA-N
XLogP2.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(6-methylheptoxy)quinolin-2-amine
CID 70038087
8-(4-ethylhexan-3-yloxy)quinolin-2-amine
CID 10016093
8-(3-cyclohexylpropoxy)quinolin-2-amine
CID 70039027
8-[2-(1-methylpyrrolidin-2-yl)ethoxy]quinolin-2-amine
CID 22254585
8-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine
CID 70036896
1-bromo-2-[(E)-but-2-enoxy]benzene
CID 13357581
8-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine
CID 10316013
hexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+))
CID 139156737
8-[(E)-3-phenylprop-2-enoxy]quinoline
CID 66545724
8-(6-chloropyrimidin-4-yl)oxyquinolin-2-amine;4,6-dichloropyrimidine
CID 157201001
8-(2-methoxyethoxy)quinoline-2-carbaldehyde
CID 150689911
5-[(E)-but-2-enoxy]bicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 125476597

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-but-2-enoxy]quinolin-2-amine?
The IUPAC name of 8-[(E)-but-2-enoxy]quinolin-2-amine (CID 10036173) is 8-[(E)-but-2-enoxy]quinolin-2-amine.
What is the SMILES notation for 8-[(E)-but-2-enoxy]quinolin-2-amine?
The canonical SMILES for 8-[(E)-but-2-enoxy]quinolin-2-amine is C/C=C/COc1cccc2ccc(N)nc12.
What is the InChIKey of 8-[(E)-but-2-enoxy]quinolin-2-amine?
The InChIKey is HYHLPCMDRXVXBT-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-3-9-16-11-6-4-5-10-7-8-12(14)15-13(10)11/h2-8H,9H2,1H3,(H2,14,15)/b3-2+.
What are the key properties of 8-[(E)-but-2-enoxy]quinolin-2-amine?
8-[(E)-but-2-enoxy]quinolin-2-amine has a molecular weight of 214.27 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-but-2-enoxy]quinolin-2-amine is sourced from PubChem (CID 10036173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).