5-(5-amino-1,2-oxazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one

C13H13N3O2 — CID 117359712

IUPAC5-(5-amino-1,2-oxazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c(-c3cnoc3N)cccc21
InChIInChI=1S/C13H13N3O2/c1-16-11-4-2-3-8(9(11)5-6-12(16)17)10-7-15-18-13(10)14/h2-4,7H,5-6,14H2,1H3
InChIKeyYGYVHSIEABNRAF-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.83
Rot. Bonds1

About 5-(5-amino-1,2-oxazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one

5-(5-amino-1,2-oxazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 117359712) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-(5-amino-1,2-oxazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-(5-amino-1,2-oxazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID117359712
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-(5-amino-1,2-oxazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c(-c3cnoc3N)cccc21
InChIInChI=1S/C13H13N3O2/c1-16-11-4-2-3-8(9(11)5-6-12(16)17)10-7-15-18-13(10)14/h2-4,7H,5-6,14H2,1H3
InChIKeyYGYVHSIEABNRAF-UHFFFAOYSA-N
XLogP1.83
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(5-amino-1,2-oxazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one 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 5-(5-amino-1,2-oxazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 5-(5-amino-1,2-oxazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one (CID 117359712) is 5-(5-amino-1,2-oxazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-(5-amino-1,2-oxazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5-(5-amino-1,2-oxazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2c(-c3cnoc3N)cccc21.
What is the InChIKey of 5-(5-amino-1,2-oxazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is YGYVHSIEABNRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16-11-4-2-3-8(9(11)5-6-12(16)17)10-7-15-18-13(10)14/h2-4,7H,5-6,14H2,1H3.
What are the key properties of 5-(5-amino-1,2-oxazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one?
5-(5-amino-1,2-oxazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 243.27 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1,2-oxazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 117359712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).