1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine

C15H14N2O — CID 113381709

IUPAC1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine
SMILESc1cc(CNCc2ccoc2)c2ccncc2c1
InChIInChI=1S/C15H14N2O/c1-2-13-9-16-6-4-15(13)14(3-1)10-17-8-12-5-7-18-11-12/h1-7,9,11,17H,8,10H2
InChIKeyUWZFMFBTSSPAEJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.12
Rot. Bonds4

About 1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine

1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine (PubChem CID 113381709) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine
PubChem CID113381709
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine
SMILESc1cc(CNCc2ccoc2)c2ccncc2c1
InChIInChI=1S/C15H14N2O/c1-2-13-9-16-6-4-15(13)14(3-1)10-17-8-12-5-7-18-11-12/h1-7,9,11,17H,8,10H2
InChIKeyUWZFMFBTSSPAEJ-UHFFFAOYSA-N
XLogP3.12
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine?
The IUPAC name of 1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine (CID 113381709) is 1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine?
The canonical SMILES for 1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine is c1cc(CNCc2ccoc2)c2ccncc2c1.
What is the InChIKey of 1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine?
The InChIKey is UWZFMFBTSSPAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-2-13-9-16-6-4-15(13)14(3-1)10-17-8-12-5-7-18-11-12/h1-7,9,11,17H,8,10H2.
What are the key properties of 1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine?
1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine has a molecular weight of 238.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine is sourced from PubChem (CID 113381709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).