7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]isoquinolin-1-amine

C15H16N4O2 — CID 106418459

IUPAC7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCCc3noc(C)n3)c2c1
InChIInChI=1S/C15H16N4O2/c1-10-18-14(19-21-10)6-8-17-15-13-9-12(20-2)4-3-11(13)5-7-16-15/h3-5,7,9H,6,8H2,1-2H3,(H,16,17)
InChIKeySDEWVQWEZLJXAQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.59
Rot. Bonds5

About 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]isoquinolin-1-amine

7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]isoquinolin-1-amine (PubChem CID 106418459) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]isoquinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]isoquinolin-1-amine
PubChem CID106418459
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCCc3noc(C)n3)c2c1
InChIInChI=1S/C15H16N4O2/c1-10-18-14(19-21-10)6-8-17-15-13-9-12(20-2)4-3-11(13)5-7-16-15/h3-5,7,9H,6,8H2,1-2H3,(H,16,17)
InChIKeySDEWVQWEZLJXAQ-UHFFFAOYSA-N
XLogP2.59
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine
CID 106402604
N-(7-methoxyisoquinolin-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106537368
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine
CID 106539045
1-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106127613
N-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106541048
7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine
CID 107488396
N-[3-(2-chloroethoxy)propyl]-7-methoxyisoquinolin-1-amine
CID 106306394
1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol
CID 106541080
7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 106537423
N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
CID 106538802
2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106413986
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]isoquinolin-1-amine?
The IUPAC name of 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]isoquinolin-1-amine (CID 106418459) is 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]isoquinolin-1-amine.
What is the SMILES notation for 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]isoquinolin-1-amine?
The canonical SMILES for 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]isoquinolin-1-amine is COc1ccc2ccnc(NCCc3noc(C)n3)c2c1.
What is the InChIKey of 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]isoquinolin-1-amine?
The InChIKey is SDEWVQWEZLJXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-18-14(19-21-10)6-8-17-15-13-9-12(20-2)4-3-11(13)5-7-16-15/h3-5,7,9H,6,8H2,1-2H3,(H,16,17).
What are the key properties of 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]isoquinolin-1-amine?
7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]isoquinolin-1-amine has a molecular weight of 284.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]isoquinolin-1-amine is sourced from PubChem (CID 106418459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).