4-amino-7-methoxy-1-methyl-2H-isoquinolin-3-one

C11H12N2O2 — CID 14494536

IUPAC4-amino-7-methoxy-1-methyl-2H-isoquinolin-3-one
SMILESCOc1ccc2c(N)c(=O)[nH]c(C)c2c1
InChIInChI=1S/C11H12N2O2/c1-6-9-5-7(15-2)3-4-8(9)10(12)11(14)13-6/h3-5H,12H2,1-2H3,(H,13,14)
InChIKeyAKWKDFCCHHOODP-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.43
Rot. Bonds1

About 4-amino-7-methoxy-1-methyl-2H-isoquinolin-3-one

4-amino-7-methoxy-1-methyl-2H-isoquinolin-3-one (PubChem CID 14494536) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-amino-7-methoxy-1-methyl-2H-isoquinolin-3-one.

Molecular Properties

Compound Name4-amino-7-methoxy-1-methyl-2H-isoquinolin-3-one
PubChem CID14494536
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-amino-7-methoxy-1-methyl-2H-isoquinolin-3-one
SMILESCOc1ccc2c(N)c(=O)[nH]c(C)c2c1
InChIInChI=1S/C11H12N2O2/c1-6-9-5-7(15-2)3-4-8(9)10(12)11(14)13-6/h3-5H,12H2,1-2H3,(H,13,14)
InChIKeyAKWKDFCCHHOODP-UHFFFAOYSA-N
XLogP1.43
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-7-methoxy-1-methyl-2H-isoquinolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-7-methoxy-3-methyl-2H-isoquinolin-1-one
CID 84712008
3-amino-6-methoxy-2-methyl-1H-quinolin-4-one
CID 91619118
3-amino-6-methoxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115039979
2,4,6-trimethoxynaphthalen-1-amine
CID 123693588
6-methoxy-1H-quinazoline-2,4-dione;hydrochloride
CID 139789837
2-methoxy-7-methyl-10H-acridin-9-one
CID 24773760
3,4-dichloro-6-methoxy-1H-quinolin-2-one
CID 110272519
1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine
CID 82279305
4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one
CID 154585320
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-methoxy-1-methyl-2H-isoquinolin-3-one?
The IUPAC name of 4-amino-7-methoxy-1-methyl-2H-isoquinolin-3-one (CID 14494536) is 4-amino-7-methoxy-1-methyl-2H-isoquinolin-3-one.
What is the SMILES notation for 4-amino-7-methoxy-1-methyl-2H-isoquinolin-3-one?
The canonical SMILES for 4-amino-7-methoxy-1-methyl-2H-isoquinolin-3-one is COc1ccc2c(N)c(=O)[nH]c(C)c2c1.
What is the InChIKey of 4-amino-7-methoxy-1-methyl-2H-isoquinolin-3-one?
The InChIKey is AKWKDFCCHHOODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-6-9-5-7(15-2)3-4-8(9)10(12)11(14)13-6/h3-5H,12H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-7-methoxy-1-methyl-2H-isoquinolin-3-one?
4-amino-7-methoxy-1-methyl-2H-isoquinolin-3-one has a molecular weight of 204.23 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-methoxy-1-methyl-2H-isoquinolin-3-one is sourced from PubChem (CID 14494536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).