2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine

C17H18N2O — CID 78942785

IUPAC2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine
SMILESCc1cc(CNCCc2ccco2)c2ccccc2n1
InChIInChI=1S/C17H18N2O/c1-13-11-14(16-6-2-3-7-17(16)19-13)12-18-9-8-15-5-4-10-20-15/h2-7,10-11,18H,8-9,12H2,1H3
InChIKeyZUQYYLZRBWUXCE-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.47
Rot. Bonds5

About 2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine

2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine (PubChem CID 78942785) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine
PubChem CID78942785
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine
SMILESCc1cc(CNCCc2ccco2)c2ccccc2n1
InChIInChI=1S/C17H18N2O/c1-13-11-14(16-6-2-3-7-17(16)19-13)12-18-9-8-15-5-4-10-20-15/h2-7,10-11,18H,8-9,12H2,1H3
InChIKeyZUQYYLZRBWUXCE-UHFFFAOYSA-N
XLogP3.47
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine?
The IUPAC name of 2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine (CID 78942785) is 2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine is Cc1cc(CNCCc2ccco2)c2ccccc2n1.
What is the InChIKey of 2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine?
The InChIKey is ZUQYYLZRBWUXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-11-14(16-6-2-3-7-17(16)19-13)12-18-9-8-15-5-4-10-20-15/h2-7,10-11,18H,8-9,12H2,1H3.
What are the key properties of 2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine?
2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine has a molecular weight of 266.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine is sourced from PubChem (CID 78942785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).