furo[2,3-h]isoquinolin-1-ylmethanamine

C12H10N2O — CID 82398400

IUPACfuro[2,3-h]isoquinolin-1-ylmethanamine
SMILESNCc1nccc2ccc3occc3c12
InChIInChI=1S/C12H10N2O/c13-7-10-12-8(3-5-14-10)1-2-11-9(12)4-6-15-11/h1-6H,7,13H2
InChIKeyBFQPFKAKDKQAJF-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.44
Rot. Bonds1

About furo[2,3-h]isoquinolin-1-ylmethanamine

furo[2,3-h]isoquinolin-1-ylmethanamine (PubChem CID 82398400) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is furo[2,3-h]isoquinolin-1-ylmethanamine.

Molecular Properties

Compound Namefuro[2,3-h]isoquinolin-1-ylmethanamine
PubChem CID82398400
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Namefuro[2,3-h]isoquinolin-1-ylmethanamine
SMILESNCc1nccc2ccc3occc3c12
InChIInChI=1S/C12H10N2O/c13-7-10-12-8(3-5-14-10)1-2-11-9(12)4-6-15-11/h1-6H,7,13H2
InChIKeyBFQPFKAKDKQAJF-UHFFFAOYSA-N
XLogP2.44
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furo[2,3-h]isoquinolin-1-ylmethanamine?
The IUPAC name of furo[2,3-h]isoquinolin-1-ylmethanamine (CID 82398400) is furo[2,3-h]isoquinolin-1-ylmethanamine.
What is the SMILES notation for furo[2,3-h]isoquinolin-1-ylmethanamine?
The canonical SMILES for furo[2,3-h]isoquinolin-1-ylmethanamine is NCc1nccc2ccc3occc3c12.
What is the InChIKey of furo[2,3-h]isoquinolin-1-ylmethanamine?
The InChIKey is BFQPFKAKDKQAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c13-7-10-12-8(3-5-14-10)1-2-11-9(12)4-6-15-11/h1-6H,7,13H2.
What are the key properties of furo[2,3-h]isoquinolin-1-ylmethanamine?
furo[2,3-h]isoquinolin-1-ylmethanamine has a molecular weight of 198.22 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furo[2,3-h]isoquinolin-1-ylmethanamine is sourced from PubChem (CID 82398400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).