2-isoquinolin-7-yl-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine

C24H28N2O — CID 10546465

IUPAC2-isoquinolin-7-yl-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccncc2c1
InChIInChI=1S/C24H28N2O/c1-26(14-12-18-9-10-19-11-13-25-16-21(19)15-18)17-20-5-3-7-23-22(20)6-4-8-24(23)27-2/h4,6,8-11,13,15-16,20H,3,5,7,12,14,17H2,1-2H3/t20-/m0/s1
InChIKeyGWMATYYYZBEZOW-FQEVSTJZSA-N
MW360.50 g/mol
LogP4.84
Rot. Bonds6

About 2-isoquinolin-7-yl-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine

2-isoquinolin-7-yl-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine (PubChem CID 10546465) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-isoquinolin-7-yl-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-isoquinolin-7-yl-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine
PubChem CID10546465
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name2-isoquinolin-7-yl-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccncc2c1
InChIInChI=1S/C24H28N2O/c1-26(14-12-18-9-10-19-11-13-25-16-21(19)15-18)17-20-5-3-7-23-22(20)6-4-8-24(23)27-2/h4,6,8-11,13,15-16,20H,3,5,7,12,14,17H2,1-2H3/t20-/m0/s1
InChIKeyGWMATYYYZBEZOW-FQEVSTJZSA-N
XLogP4.84
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-7-yl-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine?
The IUPAC name of 2-isoquinolin-7-yl-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine (CID 10546465) is 2-isoquinolin-7-yl-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine.
What is the SMILES notation for 2-isoquinolin-7-yl-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine?
The canonical SMILES for 2-isoquinolin-7-yl-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine is COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccncc2c1.
What is the InChIKey of 2-isoquinolin-7-yl-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine?
The InChIKey is GWMATYYYZBEZOW-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H28N2O/c1-26(14-12-18-9-10-19-11-13-25-16-21(19)15-18)17-20-5-3-7-23-22(20)6-4-8-24(23)27-2/h4,6,8-11,13,15-16,20H,3,5,7,12,14,17H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-isoquinolin-7-yl-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine?
2-isoquinolin-7-yl-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine has a molecular weight of 360.50 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-7-yl-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine is sourced from PubChem (CID 10546465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).