7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1H-isoquinolin-4-one

C24H28N2O2 — CID 19098502

IUPAC7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1H-isoquinolin-4-one
SMILESCOc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)CN=CC2=O
InChIInChI=1S/C24H28N2O2/c1-26(12-11-17-9-10-21-19(13-17)14-25-15-23(21)27)16-18-5-3-7-22-20(18)6-4-8-24(22)28-2/h4,6,8-10,13,15,18H,3,5,7,11-12,14,16H2,1-2H3
InChIKeyFJRDCSSCBMYCOG-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.06
Rot. Bonds6

About 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1H-isoquinolin-4-one

7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1H-isoquinolin-4-one (PubChem CID 19098502) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1H-isoquinolin-4-one.

Molecular Properties

Compound Name7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1H-isoquinolin-4-one
PubChem CID19098502
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1H-isoquinolin-4-one
SMILESCOc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)CN=CC2=O
InChIInChI=1S/C24H28N2O2/c1-26(12-11-17-9-10-21-19(13-17)14-25-15-23(21)27)16-18-5-3-7-22-20(18)6-4-8-24(22)28-2/h4,6,8-10,13,15,18H,3,5,7,11-12,14,16H2,1-2H3
InChIKeyFJRDCSSCBMYCOG-UHFFFAOYSA-N
XLogP4.06
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1H-isoquinolin-4-one?
The IUPAC name of 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1H-isoquinolin-4-one (CID 19098502) is 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1H-isoquinolin-4-one.
What is the SMILES notation for 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1H-isoquinolin-4-one?
The canonical SMILES for 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1H-isoquinolin-4-one is COc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)CN=CC2=O.
What is the InChIKey of 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1H-isoquinolin-4-one?
The InChIKey is FJRDCSSCBMYCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-26(12-11-17-9-10-21-19(13-17)14-25-15-23(21)27)16-18-5-3-7-22-20(18)6-4-8-24(22)28-2/h4,6,8-10,13,15,18H,3,5,7,11-12,14,16H2,1-2H3.
What are the key properties of 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1H-isoquinolin-4-one?
7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1H-isoquinolin-4-one has a molecular weight of 376.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1H-isoquinolin-4-one is sourced from PubChem (CID 19098502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).