6-(ethylamino)-1-hydroxy-2-methylisoquinolin-3-one

C12H14N2O2 — CID 91520534

IUPAC6-(ethylamino)-1-hydroxy-2-methylisoquinolin-3-one
SMILESCCNc1ccc2c(O)n(C)c(=O)cc2c1
InChIInChI=1S/C12H14N2O2/c1-3-13-9-4-5-10-8(6-9)7-11(15)14(2)12(10)16/h4-7,13,16H,3H2,1-2H3
InChIKeyUGMFTTUMNSLCGJ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.68
Rot. Bonds2

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

6-(ethylamino)-1-hydroxy-2-methylisoquinolin-3-one (PubChem CID 91520534) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-(ethylamino)-1-hydroxy-2-methylisoquinolin-3-one.

Molecular Properties

Compound Name6-(ethylamino)-1-hydroxy-2-methylisoquinolin-3-one
PubChem CID91520534
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name6-(ethylamino)-1-hydroxy-2-methylisoquinolin-3-one
SMILESCCNc1ccc2c(O)n(C)c(=O)cc2c1
InChIInChI=1S/C12H14N2O2/c1-3-13-9-4-5-10-8(6-9)7-11(15)14(2)12(10)16/h4-7,13,16H,3H2,1-2H3
InChIKeyUGMFTTUMNSLCGJ-UHFFFAOYSA-N
XLogP1.68
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dihydroxy-N-methylmyosmine
CID 9543125
6-Amino-3(2H)-isoquinolinone
CID 97289954
1-Hydroxy-2-methyl-6-(2,2,2-trifluoroethylamino)isoquinolin-3-one
CID 91081208
6-amino-1-hydroxy-2H-isoquinolin-3-one
CID 21290260
CID 21364089
CID 21364089
(8-Methyl-6-oxoquinolizin-3-yl)methylazanium
CID 21364175
N-[2-(1-hydroxy-3-oxoisoquinolin-2-yl)ethyl]acetamide
CID 53755388
N-[2-(3-oxo-2H-isoquinolin-1-yl)ethenyl]formamide
CID 57252820
5-(1,2-dihydropyridin-4-yl)-6-hydroxy-4-methyl-1H-pyridin-2-one
CID 70584276
2-(dimethylamino)-N-(3-oxo-2H-isoquinolin-6-yl)acetamide
CID 87608450
N-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetamide
CID 88133873
1-(1,2-Dihydropyridin-4-yl)-5-methylpyridin-2-one
CID 90464087

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-1-hydroxy-2-methylisoquinolin-3-one?
The IUPAC name of 6-(ethylamino)-1-hydroxy-2-methylisoquinolin-3-one (CID 91520534) is 6-(ethylamino)-1-hydroxy-2-methylisoquinolin-3-one.
What is the SMILES notation for 6-(ethylamino)-1-hydroxy-2-methylisoquinolin-3-one?
The canonical SMILES for 6-(ethylamino)-1-hydroxy-2-methylisoquinolin-3-one is CCNc1ccc2c(O)n(C)c(=O)cc2c1.
What is the InChIKey of 6-(ethylamino)-1-hydroxy-2-methylisoquinolin-3-one?
The InChIKey is UGMFTTUMNSLCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-13-9-4-5-10-8(6-9)7-11(15)14(2)12(10)16/h4-7,13,16H,3H2,1-2H3.
What are the key properties of 6-(ethylamino)-1-hydroxy-2-methylisoquinolin-3-one?
6-(ethylamino)-1-hydroxy-2-methylisoquinolin-3-one has a molecular weight of 218.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-1-hydroxy-2-methylisoquinolin-3-one is sourced from PubChem (CID 91520534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).