2-(ethylamino)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)acetamide

C14H19N3O2 — CID 154842626

IUPAC2-(ethylamino)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)acetamide
SMILESCCNCC(=O)Nc1cccc2c1CCN(C)C2=O
InChIInChI=1S/C14H19N3O2/c1-3-15-9-13(18)16-12-6-4-5-11-10(12)7-8-17(2)14(11)19/h4-6,15H,3,7-9H2,1-2H3,(H,16,18)
InChIKeyYRAVTOCJZKCKHH-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.86
Rot. Bonds4

About 2-(ethylamino)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)acetamide

2-(ethylamino)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)acetamide (PubChem CID 154842626) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)acetamide
PubChem CID154842626
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(ethylamino)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)acetamide
SMILESCCNCC(=O)Nc1cccc2c1CCN(C)C2=O
InChIInChI=1S/C14H19N3O2/c1-3-15-9-13(18)16-12-6-4-5-11-10(12)7-8-17(2)14(11)19/h4-6,15H,3,7-9H2,1-2H3,(H,16,18)
InChIKeyYRAVTOCJZKCKHH-UHFFFAOYSA-N
XLogP0.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)acetamide?
The IUPAC name of 2-(ethylamino)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)acetamide (CID 154842626) is 2-(ethylamino)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)acetamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)acetamide?
The canonical SMILES for 2-(ethylamino)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)acetamide is CCNCC(=O)Nc1cccc2c1CCN(C)C2=O.
What is the InChIKey of 2-(ethylamino)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)acetamide?
The InChIKey is YRAVTOCJZKCKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-15-9-13(18)16-12-6-4-5-11-10(12)7-8-17(2)14(11)19/h4-6,15H,3,7-9H2,1-2H3,(H,16,18).
What are the key properties of 2-(ethylamino)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)acetamide?
2-(ethylamino)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)acetamide has a molecular weight of 261.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)acetamide is sourced from PubChem (CID 154842626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).