7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine

C15H18N2O2 — CID 106539264

IUPAC7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NC3CCOC3C)c2c1
InChIInChI=1S/C15H18N2O2/c1-10-14(6-8-19-10)17-15-13-9-12(18-2)4-3-11(13)5-7-16-15/h3-5,7,9-10,14H,6,8H2,1-2H3,(H,16,17)
InChIKeyGBAMOLWWENEQTK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.83
Rot. Bonds3

About 7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine

7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine (PubChem CID 106539264) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine
PubChem CID106539264
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NC3CCOC3C)c2c1
InChIInChI=1S/C15H18N2O2/c1-10-14(6-8-19-10)17-15-13-9-12(18-2)4-3-11(13)5-7-16-15/h3-5,7,9-10,14H,6,8H2,1-2H3,(H,16,17)
InChIKeyGBAMOLWWENEQTK-UHFFFAOYSA-N
XLogP2.83
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine?
The IUPAC name of 7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine (CID 106539264) is 7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine.
What is the SMILES notation for 7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine?
The canonical SMILES for 7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine is COc1ccc2ccnc(NC3CCOC3C)c2c1.
What is the InChIKey of 7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine?
The InChIKey is GBAMOLWWENEQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-14(6-8-19-10)17-15-13-9-12(18-2)4-3-11(13)5-7-16-15/h3-5,7,9-10,14H,6,8H2,1-2H3,(H,16,17).
What are the key properties of 7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine?
7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine has a molecular weight of 258.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine is sourced from PubChem (CID 106539264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).