(3-isoquinolin-5-ylfuran-2-yl)methanamine

C14H12N2O — CID 106887150

IUPAC(3-isoquinolin-5-ylfuran-2-yl)methanamine
SMILESNCc1occc1-c1cccc2cnccc12
InChIInChI=1S/C14H12N2O/c15-8-14-13(5-7-17-14)12-3-1-2-10-9-16-6-4-11(10)12/h1-7,9H,8,15H2
InChIKeyIZDSBZGICFAWEA-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.95
Rot. Bonds2

About (3-isoquinolin-5-ylfuran-2-yl)methanamine

(3-isoquinolin-5-ylfuran-2-yl)methanamine (PubChem CID 106887150) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is (3-isoquinolin-5-ylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-isoquinolin-5-ylfuran-2-yl)methanamine
PubChem CID106887150
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name(3-isoquinolin-5-ylfuran-2-yl)methanamine
SMILESNCc1occc1-c1cccc2cnccc12
InChIInChI=1S/C14H12N2O/c15-8-14-13(5-7-17-14)12-3-1-2-10-9-16-6-4-11(10)12/h1-7,9H,8,15H2
InChIKeyIZDSBZGICFAWEA-UHFFFAOYSA-N
XLogP2.95
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-isoquinolin-5-ylaniline
CID 62812627
N-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine
CID 106888298
(3-isoquinolin-5-yl-4-methylphenyl)methanamine
CID 105408745
5-(furan-3-yl)isoquinoline
CID 102045200
5-pyrimidin-5-ylisoquinoline
CID 141337488
2-isoquinolin-5-ylbenzamide
CID 39817654
5-(2-ethynylphenyl)isoquinoline
CID 172649261
2-fluoro-6-isoquinolin-5-ylbenzamide
CID 50962592
5-isoquinolin-5-ylpyridin-3-ol
CID 83130626
5-isoquinolin-5-ylthiophen-2-amine
CID 164918805
2-isoquinolin-5-yl-1,3-oxazole-4-carboxylic acid
CID 122563207
2-fluoro-2-isoquinolin-5-ylpropan-1-amine
CID 112565254

Frequently Asked Questions

What is the IUPAC name of (3-isoquinolin-5-ylfuran-2-yl)methanamine?
The IUPAC name of (3-isoquinolin-5-ylfuran-2-yl)methanamine (CID 106887150) is (3-isoquinolin-5-ylfuran-2-yl)methanamine.
What is the SMILES notation for (3-isoquinolin-5-ylfuran-2-yl)methanamine?
The canonical SMILES for (3-isoquinolin-5-ylfuran-2-yl)methanamine is NCc1occc1-c1cccc2cnccc12.
What is the InChIKey of (3-isoquinolin-5-ylfuran-2-yl)methanamine?
The InChIKey is IZDSBZGICFAWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c15-8-14-13(5-7-17-14)12-3-1-2-10-9-16-6-4-11(10)12/h1-7,9H,8,15H2.
What are the key properties of (3-isoquinolin-5-ylfuran-2-yl)methanamine?
(3-isoquinolin-5-ylfuran-2-yl)methanamine has a molecular weight of 224.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-isoquinolin-5-ylfuran-2-yl)methanamine is sourced from PubChem (CID 106887150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).