2-(7-methoxyimidazo[2,1-a]isoquinolin-3-yl)ethanamine

C14H15N3O — CID 115044237

IUPAC2-(7-methoxyimidazo[2,1-a]isoquinolin-3-yl)ethanamine
SMILESCOc1cccc2c1ccn1c(CCN)cnc21
InChIInChI=1S/C14H15N3O/c1-18-13-4-2-3-12-11(13)6-8-17-10(5-7-15)9-16-14(12)17/h2-4,6,8-9H,5,7,15H2,1H3
InChIKeyYZJPIFJPVSTKKW-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.00
Rot. Bonds3

About 2-(7-methoxyimidazo[2,1-a]isoquinolin-3-yl)ethanamine

2-(7-methoxyimidazo[2,1-a]isoquinolin-3-yl)ethanamine (PubChem CID 115044237) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(7-methoxyimidazo[2,1-a]isoquinolin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(7-methoxyimidazo[2,1-a]isoquinolin-3-yl)ethanamine
PubChem CID115044237
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(7-methoxyimidazo[2,1-a]isoquinolin-3-yl)ethanamine
SMILESCOc1cccc2c1ccn1c(CCN)cnc21
InChIInChI=1S/C14H15N3O/c1-18-13-4-2-3-12-11(13)6-8-17-10(5-7-15)9-16-14(12)17/h2-4,6,8-9H,5,7,15H2,1H3
InChIKeyYZJPIFJPVSTKKW-UHFFFAOYSA-N
XLogP2.00
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
2-(9-chloroimidazo[2,1-a]isoquinolin-3-yl)ethanamine
CID 115045677
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
2-(3-methoxyquinolin-4-yl)ethanamine
CID 84670749
2-(4-methoxy-1-propan-2-ylindol-2-yl)ethanamine
CID 83918678
2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375
2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104648792
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
2-(3,5-dimethoxy-4-pyridinyl)ethanamine
CID 82654852
2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
CID 54930681
2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine
CID 63815246
2-[3-methoxy-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64772454

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxyimidazo[2,1-a]isoquinolin-3-yl)ethanamine?
The IUPAC name of 2-(7-methoxyimidazo[2,1-a]isoquinolin-3-yl)ethanamine (CID 115044237) is 2-(7-methoxyimidazo[2,1-a]isoquinolin-3-yl)ethanamine.
What is the SMILES notation for 2-(7-methoxyimidazo[2,1-a]isoquinolin-3-yl)ethanamine?
The canonical SMILES for 2-(7-methoxyimidazo[2,1-a]isoquinolin-3-yl)ethanamine is COc1cccc2c1ccn1c(CCN)cnc21.
What is the InChIKey of 2-(7-methoxyimidazo[2,1-a]isoquinolin-3-yl)ethanamine?
The InChIKey is YZJPIFJPVSTKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-18-13-4-2-3-12-11(13)6-8-17-10(5-7-15)9-16-14(12)17/h2-4,6,8-9H,5,7,15H2,1H3.
What are the key properties of 2-(7-methoxyimidazo[2,1-a]isoquinolin-3-yl)ethanamine?
2-(7-methoxyimidazo[2,1-a]isoquinolin-3-yl)ethanamine has a molecular weight of 241.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxyimidazo[2,1-a]isoquinolin-3-yl)ethanamine is sourced from PubChem (CID 115044237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).