6-[2-(dimethylamino)ethylamino]-1-hydroxy-2-methylisoquinolin-3-one

C14H19N3O2 — CID 91407268

IUPAC6-[2-(dimethylamino)ethylamino]-1-hydroxy-2-methylisoquinolin-3-one
SMILESCN(C)CCNc1ccc2c(O)n(C)c(=O)cc2c1
InChIInChI=1S/C14H19N3O2/c1-16(2)7-6-15-11-4-5-12-10(8-11)9-13(18)17(3)14(12)19/h4-5,8-9,15,19H,6-7H2,1-3H3
InChIKeyFXDUWEPLACDSFA-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.22
Rot. Bonds4

About 6-[2-(dimethylamino)ethylamino]-1-hydroxy-2-methylisoquinolin-3-one

6-[2-(dimethylamino)ethylamino]-1-hydroxy-2-methylisoquinolin-3-one (PubChem CID 91407268) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylamino]-1-hydroxy-2-methylisoquinolin-3-one.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylamino]-1-hydroxy-2-methylisoquinolin-3-one
PubChem CID91407268
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-[2-(dimethylamino)ethylamino]-1-hydroxy-2-methylisoquinolin-3-one
SMILESCN(C)CCNc1ccc2c(O)n(C)c(=O)cc2c1
InChIInChI=1S/C14H19N3O2/c1-16(2)7-6-15-11-4-5-12-10(8-11)9-13(18)17(3)14(12)19/h4-5,8-9,15,19H,6-7H2,1-3H3
InChIKeyFXDUWEPLACDSFA-UHFFFAOYSA-N
XLogP1.22
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-hydroxy-4-(methylamino)-2H-isoquinolin-3-one
CID 6494987
1-Hydroxy-2-methyl-6-(2,2,2-trifluoroethylamino)isoquinolin-3-one
CID 91081208
N-[2-(2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide
CID 20541698
6-Hydroxy-4-methyl-1-[2-(methylamino)ethyl]pyridin-2-one
CID 20562287
N-[2-(2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethyl]acetamide
CID 21264854
N-[1-(2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propan-2-yl]acetamide
CID 21264885
1-(2-Aminoethyl)-6-hydroxy-4,5-dimethylpyridin-2-one
CID 23338583
6-Hydroxy-4,5-dimethyl-1-[2-(methylamino)ethyl]pyridin-2-one
CID 23338619
N-[2-(1-hydroxy-3-oxoisoquinolin-2-yl)ethyl]acetamide
CID 53755388
N-[2-(2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]propanamide
CID 57014094
1-(2-Aminopropyl)-6-hydroxy-4,5-dimethylpyridin-2-one
CID 59712692
2-(dimethylamino)-N-(3-oxo-2H-isoquinolin-6-yl)acetamide
CID 87608450

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylamino]-1-hydroxy-2-methylisoquinolin-3-one?
The IUPAC name of 6-[2-(dimethylamino)ethylamino]-1-hydroxy-2-methylisoquinolin-3-one (CID 91407268) is 6-[2-(dimethylamino)ethylamino]-1-hydroxy-2-methylisoquinolin-3-one.
What is the SMILES notation for 6-[2-(dimethylamino)ethylamino]-1-hydroxy-2-methylisoquinolin-3-one?
The canonical SMILES for 6-[2-(dimethylamino)ethylamino]-1-hydroxy-2-methylisoquinolin-3-one is CN(C)CCNc1ccc2c(O)n(C)c(=O)cc2c1.
What is the InChIKey of 6-[2-(dimethylamino)ethylamino]-1-hydroxy-2-methylisoquinolin-3-one?
The InChIKey is FXDUWEPLACDSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16(2)7-6-15-11-4-5-12-10(8-11)9-13(18)17(3)14(12)19/h4-5,8-9,15,19H,6-7H2,1-3H3.
What are the key properties of 6-[2-(dimethylamino)ethylamino]-1-hydroxy-2-methylisoquinolin-3-one?
6-[2-(dimethylamino)ethylamino]-1-hydroxy-2-methylisoquinolin-3-one has a molecular weight of 261.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylamino]-1-hydroxy-2-methylisoquinolin-3-one is sourced from PubChem (CID 91407268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).