8-ethoxyisoquinolin-5-amine

C11H12N2O — CID 103139590

IUPAC8-ethoxyisoquinolin-5-amine
SMILESCCOc1ccc(N)c2ccncc12
InChIInChI=1S/C11H12N2O/c1-2-14-11-4-3-10(12)8-5-6-13-7-9(8)11/h3-7H,2,12H2,1H3
InChIKeyMHCNSGMUKFVOOB-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.22
Rot. Bonds2

About 8-ethoxyisoquinolin-5-amine

8-ethoxyisoquinolin-5-amine (PubChem CID 103139590) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 8-ethoxyisoquinolin-5-amine.

Molecular Properties

Compound Name8-ethoxyisoquinolin-5-amine
PubChem CID103139590
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name8-ethoxyisoquinolin-5-amine
SMILESCCOc1ccc(N)c2ccncc12
InChIInChI=1S/C11H12N2O/c1-2-14-11-4-3-10(12)8-5-6-13-7-9(8)11/h3-7H,2,12H2,1H3
InChIKeyMHCNSGMUKFVOOB-UHFFFAOYSA-N
XLogP2.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.22
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-ethoxyisoquinolin-5-amine?
The IUPAC name of 8-ethoxyisoquinolin-5-amine (CID 103139590) is 8-ethoxyisoquinolin-5-amine.
What is the SMILES notation for 8-ethoxyisoquinolin-5-amine?
The canonical SMILES for 8-ethoxyisoquinolin-5-amine is CCOc1ccc(N)c2ccncc12.
What is the InChIKey of 8-ethoxyisoquinolin-5-amine?
The InChIKey is MHCNSGMUKFVOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-14-11-4-3-10(12)8-5-6-13-7-9(8)11/h3-7H,2,12H2,1H3.
What are the key properties of 8-ethoxyisoquinolin-5-amine?
8-ethoxyisoquinolin-5-amine has a molecular weight of 188.23 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxyisoquinolin-5-amine is sourced from PubChem (CID 103139590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).