2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2-methylbutan-2-yl)acetamide

C16H25N3O2 — CID 81116125

IUPAC2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1c2c(ccc1=O)C(N)CCC2
InChIInChI=1S/C16H25N3O2/c1-4-16(2,3)18-14(20)10-19-13-7-5-6-12(17)11(13)8-9-15(19)21/h8-9,12H,4-7,10,17H2,1-3H3,(H,18,20)
InChIKeyHYWVKHSHNSQOAN-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.49
Rot. Bonds4

About 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2-methylbutan-2-yl)acetamide

2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 81116125) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2-methylbutan-2-yl)acetamide
PubChem CID81116125
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1c2c(ccc1=O)C(N)CCC2
InChIInChI=1S/C16H25N3O2/c1-4-16(2,3)18-14(20)10-19-13-7-5-6-12(17)11(13)8-9-15(19)21/h8-9,12H,4-7,10,17H2,1-3H3,(H,18,20)
InChIKeyHYWVKHSHNSQOAN-UHFFFAOYSA-N
XLogP1.49
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2-methylbutan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2-methylbutan-2-yl)acetamide (CID 81116125) is 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)Cn1c2c(ccc1=O)C(N)CCC2.
What is the InChIKey of 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is HYWVKHSHNSQOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-16(2,3)18-14(20)10-19-13-7-5-6-12(17)11(13)8-9-15(19)21/h8-9,12H,4-7,10,17H2,1-3H3,(H,18,20).
What are the key properties of 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 81116125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).