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

C10H10N2O2 — CID 58443117

IUPAC1-amino-7-methoxy-4H-isoquinolin-3-one
SMILESCOc1ccc2c(c1)C(N)=NC(=O)C2
InChIInChI=1S/C10H10N2O2/c1-14-7-3-2-6-4-9(13)12-10(11)8(6)5-7/h2-3,5H,4H2,1H3,(H2,11,12,13)
InChIKeyMHQJVIFLHSASCB-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.48
Rot. Bonds1

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

1-amino-7-methoxy-4H-isoquinolin-3-one (PubChem CID 58443117) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-amino-7-methoxy-4H-isoquinolin-3-one.

Molecular Properties

Compound Name1-amino-7-methoxy-4H-isoquinolin-3-one
PubChem CID58443117
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-amino-7-methoxy-4H-isoquinolin-3-one
SMILESCOc1ccc2c(c1)C(N)=NC(=O)C2
InChIInChI=1S/C10H10N2O2/c1-14-7-3-2-6-4-9(13)12-10(11)8(6)5-7/h2-3,5H,4H2,1H3,(H2,11,12,13)
InChIKeyMHQJVIFLHSASCB-UHFFFAOYSA-N
XLogP0.48
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-7-methoxy-4H-isoquinolin-3-one?
The IUPAC name of 1-amino-7-methoxy-4H-isoquinolin-3-one (CID 58443117) is 1-amino-7-methoxy-4H-isoquinolin-3-one.
What is the SMILES notation for 1-amino-7-methoxy-4H-isoquinolin-3-one?
The canonical SMILES for 1-amino-7-methoxy-4H-isoquinolin-3-one is COc1ccc2c(c1)C(N)=NC(=O)C2.
What is the InChIKey of 1-amino-7-methoxy-4H-isoquinolin-3-one?
The InChIKey is MHQJVIFLHSASCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-14-7-3-2-6-4-9(13)12-10(11)8(6)5-7/h2-3,5H,4H2,1H3,(H2,11,12,13).
What are the key properties of 1-amino-7-methoxy-4H-isoquinolin-3-one?
1-amino-7-methoxy-4H-isoquinolin-3-one has a molecular weight of 190.20 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-methoxy-4H-isoquinolin-3-one is sourced from PubChem (CID 58443117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).