N-[(4-prop-2-enoxyquinolin-2-yl)methyl]ethanamine

C15H18N2O — CID 63377578

IUPACN-[(4-prop-2-enoxyquinolin-2-yl)methyl]ethanamine
SMILESC=CCOc1cc(CNCC)nc2ccccc12
InChIInChI=1S/C15H18N2O/c1-3-9-18-15-10-12(11-16-4-2)17-14-8-6-5-7-13(14)15/h3,5-8,10,16H,1,4,9,11H2,2H3
InChIKeyWOFFIDXXKKQZRJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.91
Rot. Bonds6

About N-[(4-prop-2-enoxyquinolin-2-yl)methyl]ethanamine

N-[(4-prop-2-enoxyquinolin-2-yl)methyl]ethanamine (PubChem CID 63377578) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[(4-prop-2-enoxyquinolin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-prop-2-enoxyquinolin-2-yl)methyl]ethanamine
PubChem CID63377578
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-[(4-prop-2-enoxyquinolin-2-yl)methyl]ethanamine
SMILESC=CCOc1cc(CNCC)nc2ccccc12
InChIInChI=1S/C15H18N2O/c1-3-9-18-15-10-12(11-16-4-2)17-14-8-6-5-7-13(14)15/h3,5-8,10,16H,1,4,9,11H2,2H3
InChIKeyWOFFIDXXKKQZRJ-UHFFFAOYSA-N
XLogP2.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-prop-2-enoxyquinolin-2-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-prop-2-enoxyquinolin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-prop-2-enoxyquinolin-2-yl)methyl]ethanamine (CID 63377578) is N-[(4-prop-2-enoxyquinolin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-prop-2-enoxyquinolin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-prop-2-enoxyquinolin-2-yl)methyl]ethanamine is C=CCOc1cc(CNCC)nc2ccccc12.
What is the InChIKey of N-[(4-prop-2-enoxyquinolin-2-yl)methyl]ethanamine?
The InChIKey is WOFFIDXXKKQZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-9-18-15-10-12(11-16-4-2)17-14-8-6-5-7-13(14)15/h3,5-8,10,16H,1,4,9,11H2,2H3.
What are the key properties of N-[(4-prop-2-enoxyquinolin-2-yl)methyl]ethanamine?
N-[(4-prop-2-enoxyquinolin-2-yl)methyl]ethanamine has a molecular weight of 242.32 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-prop-2-enoxyquinolin-2-yl)methyl]ethanamine is sourced from PubChem (CID 63377578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).