4-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)pentanamide

C15H22N2O2 — CID 91285703

IUPAC4-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)pentanamide
SMILESCOc1ccc2c(c1)C(C(C)CCC(N)=O)CNC2
InChIInChI=1S/C15H22N2O2/c1-10(3-6-15(16)18)14-9-17-8-11-4-5-12(19-2)7-13(11)14/h4-5,7,10,14,17H,3,6,8-9H2,1-2H3,(H2,16,18)
InChIKeyCLQSRJQHVXUJKA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.78
Rot. Bonds5

About 4-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)pentanamide

4-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)pentanamide (PubChem CID 91285703) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)pentanamide.

Molecular Properties

Compound Name4-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)pentanamide
PubChem CID91285703
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)pentanamide
SMILESCOc1ccc2c(c1)C(C(C)CCC(N)=O)CNC2
InChIInChI=1S/C15H22N2O2/c1-10(3-6-15(16)18)14-9-17-8-11-4-5-12(19-2)7-13(11)14/h4-5,7,10,14,17H,3,6,8-9H2,1-2H3,(H2,16,18)
InChIKeyCLQSRJQHVXUJKA-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)pentanamide?
The IUPAC name of 4-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)pentanamide (CID 91285703) is 4-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)pentanamide.
What is the SMILES notation for 4-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)pentanamide?
The canonical SMILES for 4-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)pentanamide is COc1ccc2c(c1)C(C(C)CCC(N)=O)CNC2.
What is the InChIKey of 4-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)pentanamide?
The InChIKey is CLQSRJQHVXUJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(3-6-15(16)18)14-9-17-8-11-4-5-12(19-2)7-13(11)14/h4-5,7,10,14,17H,3,6,8-9H2,1-2H3,(H2,16,18).
What are the key properties of 4-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)pentanamide?
4-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)pentanamide has a molecular weight of 262.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)pentanamide is sourced from PubChem (CID 91285703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).