(2-but-2-enoxyquinolin-4-yl)methanamine

C14H16N2O — CID 76938383

IUPAC(2-but-2-enoxyquinolin-4-yl)methanamine
SMILESCC=CCOc1cc(CN)c2ccccc2n1
InChIInChI=1S/C14H16N2O/c1-2-3-8-17-14-9-11(10-15)12-6-4-5-7-13(12)16-14/h2-7,9H,8,10,15H2,1H3
InChIKeyMEXCYWZUIURXGK-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.65
Rot. Bonds4

About (2-but-2-enoxyquinolin-4-yl)methanamine

(2-but-2-enoxyquinolin-4-yl)methanamine (PubChem CID 76938383) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is (2-but-2-enoxyquinolin-4-yl)methanamine.

Molecular Properties

Compound Name(2-but-2-enoxyquinolin-4-yl)methanamine
PubChem CID76938383
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name(2-but-2-enoxyquinolin-4-yl)methanamine
SMILESCC=CCOc1cc(CN)c2ccccc2n1
InChIInChI=1S/C14H16N2O/c1-2-3-8-17-14-9-11(10-15)12-6-4-5-7-13(12)16-14/h2-7,9H,8,10,15H2,1H3
InChIKeyMEXCYWZUIURXGK-UHFFFAOYSA-N
XLogP2.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-but-2-enoxyquinolin-4-yl)methanamine?
The IUPAC name of (2-but-2-enoxyquinolin-4-yl)methanamine (CID 76938383) is (2-but-2-enoxyquinolin-4-yl)methanamine.
What is the SMILES notation for (2-but-2-enoxyquinolin-4-yl)methanamine?
The canonical SMILES for (2-but-2-enoxyquinolin-4-yl)methanamine is CC=CCOc1cc(CN)c2ccccc2n1.
What is the InChIKey of (2-but-2-enoxyquinolin-4-yl)methanamine?
The InChIKey is MEXCYWZUIURXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-3-8-17-14-9-11(10-15)12-6-4-5-7-13(12)16-14/h2-7,9H,8,10,15H2,1H3.
What are the key properties of (2-but-2-enoxyquinolin-4-yl)methanamine?
(2-but-2-enoxyquinolin-4-yl)methanamine has a molecular weight of 228.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-but-2-enoxyquinolin-4-yl)methanamine is sourced from PubChem (CID 76938383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).