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

C14H16N2O2 — CID 91457658

IUPAC6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one
SMILESCn1c(O)c2ccc(NCC3CC3)cc2cc1=O
InChIInChI=1S/C14H16N2O2/c1-16-13(17)7-10-6-11(15-8-9-2-3-9)4-5-12(10)14(16)18/h4-7,9,15,18H,2-3,8H2,1H3
InChIKeyUXFQLKNDSQTVFR-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.07
Rot. Bonds3

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

6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one (PubChem CID 91457658) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one.

Molecular Properties

Compound Name6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one
PubChem CID91457658
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one
SMILESCn1c(O)c2ccc(NCC3CC3)cc2cc1=O
InChIInChI=1S/C14H16N2O2/c1-16-13(17)7-10-6-11(15-8-9-2-3-9)4-5-12(10)14(16)18/h4-7,9,15,18H,2-3,8H2,1H3
InChIKeyUXFQLKNDSQTVFR-UHFFFAOYSA-N
XLogP2.07
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.07
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
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
6-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-8-one
CID 91080808
6-(Cyclopropylamino)-1-hydroxy-2-methylisoquinolin-3-one
CID 91093639
7-Chloro-6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one
CID 91150157
1-Hydroxy-2-methyl-6-(3-piperidin-1-ylpropylamino)isoquinolin-3-one
CID 91210084
1-Hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one
CID 91259601
1-Hydroxy-2-methyl-6-(2-piperidin-1-ylethylamino)isoquinolin-3-one
CID 91317993
7-Bromo-1-hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one
CID 91370309

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one?
The IUPAC name of 6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one (CID 91457658) is 6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one.
What is the SMILES notation for 6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one?
The canonical SMILES for 6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one is Cn1c(O)c2ccc(NCC3CC3)cc2cc1=O.
What is the InChIKey of 6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one?
The InChIKey is UXFQLKNDSQTVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16-13(17)7-10-6-11(15-8-9-2-3-9)4-5-12(10)14(16)18/h4-7,9,15,18H,2-3,8H2,1H3.
What are the key properties of 6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one?
6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one has a molecular weight of 244.29 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 6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one is sourced from PubChem (CID 91457658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).