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

C14H14N4O2 — CID 106402604

IUPAC7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCc3noc(C)n3)c2c1
InChIInChI=1S/C14H14N4O2/c1-9-17-13(18-20-9)8-16-14-12-7-11(19-2)4-3-10(12)5-6-15-14/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyKICLOXJMBQZVFS-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.55
Rot. Bonds4

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

7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine (PubChem CID 106402604) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine
PubChem CID106402604
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCc3noc(C)n3)c2c1
InChIInChI=1S/C14H14N4O2/c1-9-17-13(18-20-9)8-16-14-12-7-11(19-2)4-3-10(12)5-6-15-14/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyKICLOXJMBQZVFS-UHFFFAOYSA-N
XLogP2.55
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine
CID 106539045
7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 106537423
7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine
CID 106539104
7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine
CID 106537936
N-(7-methoxyisoquinolin-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106537368
4-methyl-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,3-diamine
CID 106393081
N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
CID 106538802
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
N-(2-chloroprop-2-enyl)-7-methoxyisoquinolin-1-amine
CID 106539492
7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine
CID 106539056
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine?
The IUPAC name of 7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine (CID 106402604) is 7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine.
What is the SMILES notation for 7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine?
The canonical SMILES for 7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine is COc1ccc2ccnc(NCc3noc(C)n3)c2c1.
What is the InChIKey of 7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine?
The InChIKey is KICLOXJMBQZVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-17-13(18-20-9)8-16-14-12-7-11(19-2)4-3-10(12)5-6-15-14/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of 7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine?
7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine has a molecular weight of 270.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine is sourced from PubChem (CID 106402604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).