7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine

C17H21N3O — CID 107488396

IUPAC7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCCC3=CCNCC3)c2c1
InChIInChI=1S/C17H21N3O/c1-21-15-3-2-14-7-11-20-17(16(14)12-15)19-10-6-13-4-8-18-9-5-13/h2-4,7,11-12,18H,5-6,8-10H2,1H3,(H,19,20)
InChIKeyJEXYKFKXYRFUIB-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.97
Rot. Bonds5

About 7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine

7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine (PubChem CID 107488396) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine
PubChem CID107488396
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCCC3=CCNCC3)c2c1
InChIInChI=1S/C17H21N3O/c1-21-15-3-2-14-7-11-20-17(16(14)12-15)19-10-6-13-4-8-18-9-5-13/h2-4,7,11-12,18H,5-6,8-10H2,1H3,(H,19,20)
InChIKeyJEXYKFKXYRFUIB-UHFFFAOYSA-N
XLogP2.97
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine with MolForge

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Related Compounds

7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]isoquinolin-1-amine
CID 106418459
N-(7-methoxyisoquinolin-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106537368
N-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106541048
1-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106127613
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491
N-[3-(2-chloroethoxy)propyl]-7-methoxyisoquinolin-1-amine
CID 106306394
1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol
CID 106541080
N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
CID 106538802
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 106537423
7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine
CID 106538593
7-methoxy-N-(3-methylpyrrolidin-3-yl)isoquinolin-1-amine
CID 107425236

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine?
The IUPAC name of 7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine (CID 107488396) is 7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine.
What is the SMILES notation for 7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine?
The canonical SMILES for 7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine is COc1ccc2ccnc(NCCC3=CCNCC3)c2c1.
What is the InChIKey of 7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine?
The InChIKey is JEXYKFKXYRFUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-21-15-3-2-14-7-11-20-17(16(14)12-15)19-10-6-13-4-8-18-9-5-13/h2-4,7,11-12,18H,5-6,8-10H2,1H3,(H,19,20).
What are the key properties of 7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine?
7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine has a molecular weight of 283.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine is sourced from PubChem (CID 107488396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).