4-amino-5-fluoro-1-methyl-2H-isoquinolin-3-one

C10H9FN2O — CID 118101356

IUPAC4-amino-5-fluoro-1-methyl-2H-isoquinolin-3-one
SMILESCc1[nH]c(=O)c(N)c2c(F)cccc12
InChIInChI=1S/C10H9FN2O/c1-5-6-3-2-4-7(11)8(6)9(12)10(14)13-5/h2-4H,12H2,1H3,(H,13,14)
InChIKeyDZGQRDATRHFRRW-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.56
Rot. Bonds

About 4-amino-5-fluoro-1-methyl-2H-isoquinolin-3-one

4-amino-5-fluoro-1-methyl-2H-isoquinolin-3-one (PubChem CID 118101356) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-methyl-2H-isoquinolin-3-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-methyl-2H-isoquinolin-3-one
PubChem CID118101356
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name4-amino-5-fluoro-1-methyl-2H-isoquinolin-3-one
SMILESCc1[nH]c(=O)c(N)c2c(F)cccc12
InChIInChI=1S/C10H9FN2O/c1-5-6-3-2-4-7(11)8(6)9(12)10(14)13-5/h2-4H,12H2,1H3,(H,13,14)
InChIKeyDZGQRDATRHFRRW-UHFFFAOYSA-N
XLogP1.56
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-methyl-2H-isoquinolin-3-one?
The IUPAC name of 4-amino-5-fluoro-1-methyl-2H-isoquinolin-3-one (CID 118101356) is 4-amino-5-fluoro-1-methyl-2H-isoquinolin-3-one.
What is the SMILES notation for 4-amino-5-fluoro-1-methyl-2H-isoquinolin-3-one?
The canonical SMILES for 4-amino-5-fluoro-1-methyl-2H-isoquinolin-3-one is Cc1[nH]c(=O)c(N)c2c(F)cccc12.
What is the InChIKey of 4-amino-5-fluoro-1-methyl-2H-isoquinolin-3-one?
The InChIKey is DZGQRDATRHFRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-5-6-3-2-4-7(11)8(6)9(12)10(14)13-5/h2-4H,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-5-fluoro-1-methyl-2H-isoquinolin-3-one?
4-amino-5-fluoro-1-methyl-2H-isoquinolin-3-one has a molecular weight of 192.19 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-methyl-2H-isoquinolin-3-one is sourced from PubChem (CID 118101356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).