1-hydroxy-4-(methylamino)-2H-isoquinolin-3-one

C10H10N2O2 — CID 6494987

IUPAC1-hydroxy-4-(methylamino)-2H-isoquinolin-3-one
SMILESCNc1c(=O)[nH]c(O)c2ccccc12
InChIInChI=1S/C10H10N2O2/c1-11-8-6-4-2-3-5-7(6)9(13)12-10(8)14/h2-5,11H,1H3,(H2,12,13,14)
InChIKeyMVPBRTOCMUEEPJ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.28
Rot. Bonds1

About 1-hydroxy-4-(methylamino)-2H-isoquinolin-3-one

1-hydroxy-4-(methylamino)-2H-isoquinolin-3-one (PubChem CID 6494987) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-hydroxy-4-(methylamino)-2H-isoquinolin-3-one.

Molecular Properties

Compound Name1-hydroxy-4-(methylamino)-2H-isoquinolin-3-one
PubChem CID6494987
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-hydroxy-4-(methylamino)-2H-isoquinolin-3-one
SMILESCNc1c(=O)[nH]c(O)c2ccccc12
InChIInChI=1S/C10H10N2O2/c1-11-8-6-4-2-3-5-7(6)9(13)12-10(8)14/h2-5,11H,1H3,(H2,12,13,14)
InChIKeyMVPBRTOCMUEEPJ-UHFFFAOYSA-N
XLogP1.28
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(methylamino)-2H-isoquinolin-3-one?
The IUPAC name of 1-hydroxy-4-(methylamino)-2H-isoquinolin-3-one (CID 6494987) is 1-hydroxy-4-(methylamino)-2H-isoquinolin-3-one.
What is the SMILES notation for 1-hydroxy-4-(methylamino)-2H-isoquinolin-3-one?
The canonical SMILES for 1-hydroxy-4-(methylamino)-2H-isoquinolin-3-one is CNc1c(=O)[nH]c(O)c2ccccc12.
What is the InChIKey of 1-hydroxy-4-(methylamino)-2H-isoquinolin-3-one?
The InChIKey is MVPBRTOCMUEEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-11-8-6-4-2-3-5-7(6)9(13)12-10(8)14/h2-5,11H,1H3,(H2,12,13,14).
What are the key properties of 1-hydroxy-4-(methylamino)-2H-isoquinolin-3-one?
1-hydroxy-4-(methylamino)-2H-isoquinolin-3-one has a molecular weight of 190.20 g/mol, XLogP of 1.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(methylamino)-2H-isoquinolin-3-one is sourced from PubChem (CID 6494987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).