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

C13H14N2O2 — CID 91093639

IUPAC6-(cyclopropylamino)-1-hydroxy-2-methylisoquinolin-3-one
SMILESCn1c(O)c2ccc(NC3CC3)cc2cc1=O
InChIInChI=1S/C13H14N2O2/c1-15-12(16)7-8-6-10(14-9-2-3-9)4-5-11(8)13(15)17/h4-7,9,14,17H,2-3H2,1H3
InChIKeyYEJKFPQMFTWBNC-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.82
Rot. Bonds2

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

6-(cyclopropylamino)-1-hydroxy-2-methylisoquinolin-3-one (PubChem CID 91093639) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-(cyclopropylamino)-1-hydroxy-2-methylisoquinolin-3-one.

Molecular Properties

Compound Name6-(cyclopropylamino)-1-hydroxy-2-methylisoquinolin-3-one
PubChem CID91093639
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name6-(cyclopropylamino)-1-hydroxy-2-methylisoquinolin-3-one
SMILESCn1c(O)c2ccc(NC3CC3)cc2cc1=O
InChIInChI=1S/C13H14N2O2/c1-15-12(16)7-8-6-10(14-9-2-3-9)4-5-11(8)13(15)17/h4-7,9,14,17H,2-3H2,1H3
InChIKeyYEJKFPQMFTWBNC-UHFFFAOYSA-N
XLogP1.82
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Hydroxy-2-methyl-6-(2,2,2-trifluoroethylamino)isoquinolin-3-one
CID 91081208
N-[2-(1-hydroxy-3-oxoisoquinolin-2-yl)ethyl]acetamide
CID 53755388
N-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetamide
CID 88133873
1-Hydroxy-2-methyl-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-3-one
CID 90689493
1-Hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one
CID 90746456
1-Hydroxy-2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-3-one
CID 90767934
5-hydroxy-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-7-one
CID 90972402
7-Chloro-6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one
CID 91150157
1-Hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one
CID 91259601
7-Bromo-1-hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one
CID 91370309
6-[2-(Dimethylamino)ethylamino]-1-hydroxy-2-methylisoquinolin-3-one
CID 91407268
6-(Cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one
CID 91457658

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-1-hydroxy-2-methylisoquinolin-3-one?
The IUPAC name of 6-(cyclopropylamino)-1-hydroxy-2-methylisoquinolin-3-one (CID 91093639) is 6-(cyclopropylamino)-1-hydroxy-2-methylisoquinolin-3-one.
What is the SMILES notation for 6-(cyclopropylamino)-1-hydroxy-2-methylisoquinolin-3-one?
The canonical SMILES for 6-(cyclopropylamino)-1-hydroxy-2-methylisoquinolin-3-one is Cn1c(O)c2ccc(NC3CC3)cc2cc1=O.
What is the InChIKey of 6-(cyclopropylamino)-1-hydroxy-2-methylisoquinolin-3-one?
The InChIKey is YEJKFPQMFTWBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-15-12(16)7-8-6-10(14-9-2-3-9)4-5-11(8)13(15)17/h4-7,9,14,17H,2-3H2,1H3.
What are the key properties of 6-(cyclopropylamino)-1-hydroxy-2-methylisoquinolin-3-one?
6-(cyclopropylamino)-1-hydroxy-2-methylisoquinolin-3-one has a molecular weight of 230.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-1-hydroxy-2-methylisoquinolin-3-one is sourced from PubChem (CID 91093639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).