N-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine

C17H23N3O — CID 106777093

IUPACN-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCC(OC)C2)c2ccccc12
InChIInChI=1S/C17H23N3O/c1-3-18-10-13-11-19-17(16-7-5-4-6-15(13)16)20-9-8-14(12-20)21-2/h4-7,11,14,18H,3,8-10,12H2,1-2H3
InChIKeyRXQOEYRRMPLRAY-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.57
Rot. Bonds5

About N-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine

N-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine (PubChem CID 106777093) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine
PubChem CID106777093
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCC(OC)C2)c2ccccc12
InChIInChI=1S/C17H23N3O/c1-3-18-10-13-11-19-17(16-7-5-4-6-15(13)16)20-9-8-14(12-20)21-2/h4-7,11,14,18H,3,8-10,12H2,1-2H3
InChIKeyRXQOEYRRMPLRAY-UHFFFAOYSA-N
XLogP2.57
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[1-(2-azabicyclo[2.2.1]heptan-2-yl)isoquinolin-4-yl]methyl]ethanamine
CID 106775701
N-[[1-(1-oxo-1,4-thiazinan-4-yl)isoquinolin-4-yl]methyl]ethanamine
CID 106775599
[1-(3-tert-butylpyrrolidin-1-yl)isoquinolin-4-yl]methanol
CID 106768401
N-[[4-(3-methoxypiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 102967869
N-[[6-(3-methoxypyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 103539323
1-[1-(3,5-dimethylpiperidin-1-yl)isoquinolin-4-yl]-N-methylmethanamine
CID 106774888
N-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine
CID 106776173
N-[[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-1-amine
CID 103535779
4-(chloromethyl)-1-[4-(methoxymethyl)piperidin-1-yl]isoquinoline
CID 106769214
N-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 103539456
N-[[3-chloro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 103539397
N-[[2-(3-methoxypyrrolidin-1-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 103539392

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine (CID 106777093) is N-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine is CCNCc1cnc(N2CCC(OC)C2)c2ccccc12.
What is the InChIKey of N-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine?
The InChIKey is RXQOEYRRMPLRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-18-10-13-11-19-17(16-7-5-4-6-15(13)16)20-9-8-14(12-20)21-2/h4-7,11,14,18H,3,8-10,12H2,1-2H3.
What are the key properties of N-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine?
N-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine is sourced from PubChem (CID 106777093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).