6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline

C16H20N2O2 — CID 106542215

IUPAC6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline
SMILESCOc1ccc2c(OCCC3CCNC3)nccc2c1
InChIInChI=1S/C16H20N2O2/c1-19-14-2-3-15-13(10-14)5-8-18-16(15)20-9-6-12-4-7-17-11-12/h2-3,5,8,10,12,17H,4,6-7,9,11H2,1H3
InChIKeyVTKQWFVIVRMMFQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.62
Rot. Bonds5

About 6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline

6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline (PubChem CID 106542215) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline.

Molecular Properties

Compound Name6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline
PubChem CID106542215
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline
SMILESCOc1ccc2c(OCCC3CCNC3)nccc2c1
InChIInChI=1S/C16H20N2O2/c1-19-14-2-3-15-13(10-14)5-8-18-16(15)20-9-6-12-4-7-17-11-12/h2-3,5,8,10,12,17H,4,6-7,9,11H2,1H3
InChIKeyVTKQWFVIVRMMFQ-UHFFFAOYSA-N
XLogP2.62
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 93080822
3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine
CID 116925514
6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline
CID 106542068
7-methoxy-1-pyrrolidin-3-ylisoquinoline
CID 116995292
5-methoxy-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796589
N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540581
3-chloro-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796420
3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796523
3-ethoxy-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796289
3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine
CID 19096229
3-propoxy-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796587
4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline?
The IUPAC name of 6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline (CID 106542215) is 6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline.
What is the SMILES notation for 6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline?
The canonical SMILES for 6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline is COc1ccc2c(OCCC3CCNC3)nccc2c1.
What is the InChIKey of 6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline?
The InChIKey is VTKQWFVIVRMMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-14-2-3-15-13(10-14)5-8-18-16(15)20-9-6-12-4-7-17-11-12/h2-3,5,8,10,12,17H,4,6-7,9,11H2,1H3.
What are the key properties of 6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline?
6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline has a molecular weight of 272.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline is sourced from PubChem (CID 106542215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).