7-amino-2,5-dimethylisoquinolin-1-one

C11H12N2O — CID 156819887

IUPAC7-amino-2,5-dimethylisoquinolin-1-one
SMILESCc1cc(N)cc2c(=O)n(C)ccc12
InChIInChI=1S/C11H12N2O/c1-7-5-8(12)6-10-9(7)3-4-13(2)11(10)14/h3-6H,12H2,1-2H3
InChIKeyBFQHEGWQGJAMEQ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.43
Rot. Bonds

About 7-amino-2,5-dimethylisoquinolin-1-one

7-amino-2,5-dimethylisoquinolin-1-one (PubChem CID 156819887) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 7-amino-2,5-dimethylisoquinolin-1-one.

Molecular Properties

Compound Name7-amino-2,5-dimethylisoquinolin-1-one
PubChem CID156819887
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name7-amino-2,5-dimethylisoquinolin-1-one
SMILESCc1cc(N)cc2c(=O)n(C)ccc12
InChIInChI=1S/C11H12N2O/c1-7-5-8(12)6-10-9(7)3-4-13(2)11(10)14/h3-6H,12H2,1-2H3
InChIKeyBFQHEGWQGJAMEQ-UHFFFAOYSA-N
XLogP1.43
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.43
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 7-amino-2,5-dimethylisoquinolin-1-one?
The IUPAC name of 7-amino-2,5-dimethylisoquinolin-1-one (CID 156819887) is 7-amino-2,5-dimethylisoquinolin-1-one.
What is the SMILES notation for 7-amino-2,5-dimethylisoquinolin-1-one?
The canonical SMILES for 7-amino-2,5-dimethylisoquinolin-1-one is Cc1cc(N)cc2c(=O)n(C)ccc12.
What is the InChIKey of 7-amino-2,5-dimethylisoquinolin-1-one?
The InChIKey is BFQHEGWQGJAMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-5-8(12)6-10-9(7)3-4-13(2)11(10)14/h3-6H,12H2,1-2H3.
What are the key properties of 7-amino-2,5-dimethylisoquinolin-1-one?
7-amino-2,5-dimethylisoquinolin-1-one has a molecular weight of 188.23 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,5-dimethylisoquinolin-1-one is sourced from PubChem (CID 156819887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).