7-chloro-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one

C11H11ClN2O2 — CID 91285978

IUPAC7-chloro-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one
SMILESCNc1cc2cc(=O)n(C)c(O)c2cc1Cl
InChIInChI=1S/C11H11ClN2O2/c1-13-9-3-6-4-10(15)14(2)11(16)7(6)5-8(9)12/h3-5,13,16H,1-2H3
InChIKeyUNFAHTKDOSEUGB-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.94
Rot. Bonds1

About 7-chloro-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one

7-chloro-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one (PubChem CID 91285978) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 7-chloro-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one.

Molecular Properties

Compound Name7-chloro-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one
PubChem CID91285978
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name7-chloro-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one
SMILESCNc1cc2cc(=O)n(C)c(O)c2cc1Cl
InChIInChI=1S/C11H11ClN2O2/c1-13-9-3-6-4-10(15)14(2)11(16)7(6)5-8(9)12/h3-5,13,16H,1-2H3
InChIKeyUNFAHTKDOSEUGB-UHFFFAOYSA-N
XLogP1.94
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one?
The IUPAC name of 7-chloro-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one (CID 91285978) is 7-chloro-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one.
What is the SMILES notation for 7-chloro-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one?
The canonical SMILES for 7-chloro-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one is CNc1cc2cc(=O)n(C)c(O)c2cc1Cl.
What is the InChIKey of 7-chloro-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one?
The InChIKey is UNFAHTKDOSEUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-13-9-3-6-4-10(15)14(2)11(16)7(6)5-8(9)12/h3-5,13,16H,1-2H3.
What are the key properties of 7-chloro-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one?
7-chloro-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one has a molecular weight of 238.67 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one is sourced from PubChem (CID 91285978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).