1-hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one

C13H16N2O2 — CID 91259601

IUPAC1-hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one
SMILESCCCNc1ccc2c(O)n(C)c(=O)cc2c1
InChIInChI=1S/C13H16N2O2/c1-3-6-14-10-4-5-11-9(7-10)8-12(16)15(2)13(11)17/h4-5,7-8,14,17H,3,6H2,1-2H3
InChIKeyDQZWDCXJVIIAIE-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.07
Rot. Bonds3

About 1-hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one

1-hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one (PubChem CID 91259601) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one.

Molecular Properties

Compound Name1-hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one
PubChem CID91259601
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one
SMILESCCCNc1ccc2c(O)n(C)c(=O)cc2c1
InChIInChI=1S/C13H16N2O2/c1-3-6-14-10-4-5-11-9(7-10)8-12(16)15(2)13(11)17/h4-5,7-8,14,17H,3,6H2,1-2H3
InChIKeyDQZWDCXJVIIAIE-UHFFFAOYSA-N
XLogP2.07
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dihydroxy-N-methylmyosmine
CID 9543125
1-Hydroxy-2-methyl-6-(2,2,2-trifluoroethylamino)isoquinolin-3-one
CID 91081208
2(1H)-Pyridinone, 6-hydroxy-4-methyl-1-[3-(methylamino)propyl]-
CID 11275604
N-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methyl]acetamide
CID 20518071
CID 21364089
CID 21364089
N-[2-(1-hydroxy-3-oxoisoquinolin-2-yl)ethyl]acetamide
CID 53755388
1-Hydroxy-2-[3-[3-(1-hydroxy-3-oxoisoquinolin-2-yl)propylamino]propyl]isoquinolin-3-one
CID 54045088
6-Hydroxy-4,5-dimethyl-1-[3-(methylamino)propyl]pyridin-2-one
CID 59712725
1-Butyl-6-hydroxy-4-methyl-5-(methylamino)pyridin-2-one
CID 70136005
N-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetamide
CID 88133873
1-[3-(dimethylamino)propyl]-5-[[(1Z,3Z)-hexa-1,3,5-trienyl]amino]-6-hydroxy-4-methylpyridin-2-one
CID 89150787
1-Hydroxy-2-methyl-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-3-one
CID 90689493

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one?
The IUPAC name of 1-hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one (CID 91259601) is 1-hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one.
What is the SMILES notation for 1-hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one?
The canonical SMILES for 1-hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one is CCCNc1ccc2c(O)n(C)c(=O)cc2c1.
What is the InChIKey of 1-hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one?
The InChIKey is DQZWDCXJVIIAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-6-14-10-4-5-11-9(7-10)8-12(16)15(2)13(11)17/h4-5,7-8,14,17H,3,6H2,1-2H3.
What are the key properties of 1-hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one?
1-hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one has a molecular weight of 232.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one is sourced from PubChem (CID 91259601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).