6-amino-3,4-dimethyl-2H-isoquinolin-1-one

C11H12N2O — CID 175921906

IUPAC6-amino-3,4-dimethyl-2H-isoquinolin-1-one
SMILESCc1[nH]c(=O)c2ccc(N)cc2c1C
InChIInChI=1S/C11H12N2O/c1-6-7(2)13-11(14)9-4-3-8(12)5-10(6)9/h3-5H,12H2,1-2H3,(H,13,14)
InChIKeyJMZFHLVVHORYED-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.73
Rot. Bonds

About 6-amino-3,4-dimethyl-2H-isoquinolin-1-one

6-amino-3,4-dimethyl-2H-isoquinolin-1-one (PubChem CID 175921906) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-amino-3,4-dimethyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-amino-3,4-dimethyl-2H-isoquinolin-1-one
PubChem CID175921906
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name6-amino-3,4-dimethyl-2H-isoquinolin-1-one
SMILESCc1[nH]c(=O)c2ccc(N)cc2c1C
InChIInChI=1S/C11H12N2O/c1-6-7(2)13-11(14)9-4-3-8(12)5-10(6)9/h3-5H,12H2,1-2H3,(H,13,14)
InChIKeyJMZFHLVVHORYED-UHFFFAOYSA-N
XLogP1.73
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.73
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

4-amino-6-chloro-3-methyl-2H-isoquinolin-1-one
CID 84676451
6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one
CID 114517589
6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione
CID 126745004
6-amino-4-ethyl-2H-isoquinolin-1-one
CID 115063533
2-amino-6H-indeno[1,2-c]isoquinoline-5,11-dione
CID 70335444
6-amino-4-methyl-3-propyl-1H-quinolin-2-one
CID 118872268
7-amino-3-(2,2-dimethylpropyl)-4-methyl-1H-quinolin-2-one
CID 91459928
6-amino-3-methyl-1H-indole-2-carbaldehyde
CID 96630486
6-amino-2-methylsulfanyl-3H-quinazolin-4-one
CID 136809642
6,7-dimethyl-5H-thieno[3,2-c]pyridin-4-one
CID 134859835
1,4-dimethylnaphthalene-2,6-diamine
CID 139601162
7-amino-4-methyl-1H-quinolin-2-one;benzene-1,3-diamine
CID 159619510

Frequently Asked Questions

What is the IUPAC name of 6-amino-3,4-dimethyl-2H-isoquinolin-1-one?
The IUPAC name of 6-amino-3,4-dimethyl-2H-isoquinolin-1-one (CID 175921906) is 6-amino-3,4-dimethyl-2H-isoquinolin-1-one.
What is the SMILES notation for 6-amino-3,4-dimethyl-2H-isoquinolin-1-one?
The canonical SMILES for 6-amino-3,4-dimethyl-2H-isoquinolin-1-one is Cc1[nH]c(=O)c2ccc(N)cc2c1C.
What is the InChIKey of 6-amino-3,4-dimethyl-2H-isoquinolin-1-one?
The InChIKey is JMZFHLVVHORYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-6-7(2)13-11(14)9-4-3-8(12)5-10(6)9/h3-5H,12H2,1-2H3,(H,13,14).
What are the key properties of 6-amino-3,4-dimethyl-2H-isoquinolin-1-one?
6-amino-3,4-dimethyl-2H-isoquinolin-1-one has a molecular weight of 188.23 g/mol, XLogP of 1.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,4-dimethyl-2H-isoquinolin-1-one is sourced from PubChem (CID 175921906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).