6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine

C16H21N3O — CID 106538439

IUPAC6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine
SMILESCOc1ccc2c(NCCN3CCCC3)nccc2c1
InChIInChI=1S/C16H21N3O/c1-20-14-4-5-15-13(12-14)6-7-17-16(15)18-8-11-19-9-2-3-10-19/h4-7,12H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyJWMHRVRIJOYXPE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.75
Rot. Bonds5

About 6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine

6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine (PubChem CID 106538439) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine
PubChem CID106538439
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine
SMILESCOc1ccc2c(NCCN3CCCC3)nccc2c1
InChIInChI=1S/C16H21N3O/c1-20-14-4-5-15-13(12-14)6-7-17-16(15)18-8-11-19-9-2-3-10-19/h4-7,12H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyJWMHRVRIJOYXPE-UHFFFAOYSA-N
XLogP2.75
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540512
N-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine
CID 106537955
6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine
CID 106541129
6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine
CID 106539434
N-(6-methoxyisoquinolin-1-yl)-N',N'-dimethylbutane-1,4-diamine
CID 106538289
N-[2-(2-chloroethoxy)ethyl]-6-methoxyisoquinolin-1-amine
CID 106542673
1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol
CID 106537916
1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol
CID 106539773
N-(2-chloropropyl)-6-methoxyisoquinolin-1-amine
CID 106542661
N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
6-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinolin-1-amine
CID 106539948
6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
CID 106539270

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine?
The IUPAC name of 6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine (CID 106538439) is 6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine.
What is the SMILES notation for 6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine?
The canonical SMILES for 6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine is COc1ccc2c(NCCN3CCCC3)nccc2c1.
What is the InChIKey of 6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine?
The InChIKey is JWMHRVRIJOYXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-14-4-5-15-13(12-14)6-7-17-16(15)18-8-11-19-9-2-3-10-19/h4-7,12H,2-3,8-11H2,1H3,(H,17,18).
What are the key properties of 6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine?
6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine is sourced from PubChem (CID 106538439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).