8-propoxyisoquinolin-5-amine

C12H14N2O — CID 103139869

IUPAC8-propoxyisoquinolin-5-amine
SMILESCCCOc1ccc(N)c2ccncc12
InChIInChI=1S/C12H14N2O/c1-2-7-15-12-4-3-11(13)9-5-6-14-8-10(9)12/h3-6,8H,2,7,13H2,1H3
InChIKeyWSLVWHPXZHADJP-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.61
Rot. Bonds3

About 8-propoxyisoquinolin-5-amine

8-propoxyisoquinolin-5-amine (PubChem CID 103139869) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 8-propoxyisoquinolin-5-amine.

Molecular Properties

Compound Name8-propoxyisoquinolin-5-amine
PubChem CID103139869
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name8-propoxyisoquinolin-5-amine
SMILESCCCOc1ccc(N)c2ccncc12
InChIInChI=1S/C12H14N2O/c1-2-7-15-12-4-3-11(13)9-5-6-14-8-10(9)12/h3-6,8H,2,7,13H2,1H3
InChIKeyWSLVWHPXZHADJP-UHFFFAOYSA-N
XLogP2.61
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-propoxyisoquinolin-5-amine?
The IUPAC name of 8-propoxyisoquinolin-5-amine (CID 103139869) is 8-propoxyisoquinolin-5-amine.
What is the SMILES notation for 8-propoxyisoquinolin-5-amine?
The canonical SMILES for 8-propoxyisoquinolin-5-amine is CCCOc1ccc(N)c2ccncc12.
What is the InChIKey of 8-propoxyisoquinolin-5-amine?
The InChIKey is WSLVWHPXZHADJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-7-15-12-4-3-11(13)9-5-6-14-8-10(9)12/h3-6,8H,2,7,13H2,1H3.
What are the key properties of 8-propoxyisoquinolin-5-amine?
8-propoxyisoquinolin-5-amine has a molecular weight of 202.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propoxyisoquinolin-5-amine is sourced from PubChem (CID 103139869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).