6-amino-4-ethyl-2H-isoquinolin-1-one

C11H12N2O — CID 115063533

IUPAC6-amino-4-ethyl-2H-isoquinolin-1-one
SMILESCCc1c[nH]c(=O)c2ccc(N)cc12
InChIInChI=1S/C11H12N2O/c1-2-7-6-13-11(14)9-4-3-8(12)5-10(7)9/h3-6H,2,12H2,1H3,(H,13,14)
InChIKeyADARGZFVKUUBEL-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.67
Rot. Bonds1

About 6-amino-4-ethyl-2H-isoquinolin-1-one

6-amino-4-ethyl-2H-isoquinolin-1-one (PubChem CID 115063533) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-amino-4-ethyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-amino-4-ethyl-2H-isoquinolin-1-one
PubChem CID115063533
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name6-amino-4-ethyl-2H-isoquinolin-1-one
SMILESCCc1c[nH]c(=O)c2ccc(N)cc12
InChIInChI=1S/C11H12N2O/c1-2-7-6-13-11(14)9-4-3-8(12)5-10(7)9/h3-6H,2,12H2,1H3,(H,13,14)
InChIKeyADARGZFVKUUBEL-UHFFFAOYSA-N
XLogP1.67
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-amino-4-tert-butyl-2H-isoquinolin-1-one
CID 115063559
3-ethyl-1H-indol-6-amine;N-methylformamide
CID 155742399
7-amino-4-ethyl-2-methylisoquinolin-1-one
CID 115063556
6-amino-3,4-dimethyl-2H-isoquinolin-1-one
CID 175921906
(3-ethyl-1H-indol-6-yl)methanamine
CID 115014328
6-amino-3-ethyl-1H-quinolin-2-one
CID 172552849
2-(5-amino-1H-indol-3-yl)acetic acid
CID 24974925
4-amino-7-methyl-2H-isoquinolin-1-one
CID 84654886
4-ethyl-5-fluoro-2H-isoquinolin-1-one
CID 115063173
3-ethyl-6-iodo-1H-indole
CID 135269455
2-(6-amino-1H-indol-3-yl)-N-methylacetamide
CID 155392040
3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride
CID 174431068

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-ethyl-2H-isoquinolin-1-one?
The IUPAC name of 6-amino-4-ethyl-2H-isoquinolin-1-one (CID 115063533) is 6-amino-4-ethyl-2H-isoquinolin-1-one.
What is the SMILES notation for 6-amino-4-ethyl-2H-isoquinolin-1-one?
The canonical SMILES for 6-amino-4-ethyl-2H-isoquinolin-1-one is CCc1c[nH]c(=O)c2ccc(N)cc12.
What is the InChIKey of 6-amino-4-ethyl-2H-isoquinolin-1-one?
The InChIKey is ADARGZFVKUUBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-7-6-13-11(14)9-4-3-8(12)5-10(7)9/h3-6H,2,12H2,1H3,(H,13,14).
What are the key properties of 6-amino-4-ethyl-2H-isoquinolin-1-one?
6-amino-4-ethyl-2H-isoquinolin-1-one has a molecular weight of 188.23 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-ethyl-2H-isoquinolin-1-one is sourced from PubChem (CID 115063533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).