N-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetamide

C15H19N3O4 — CID 82157822

IUPACN-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetamide
SMILESCCC(C)NC(=O)CN1C(=O)CNc2cc3c(cc21)OCO3
InChIInChI=1S/C15H19N3O4/c1-3-9(2)17-14(19)7-18-11-5-13-12(21-8-22-13)4-10(11)16-6-15(18)20/h4-5,9,16H,3,6-8H2,1-2H3,(H,17,19)
InChIKeyFXMUTAHVAGQTJK-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.09
Rot. Bonds4

About N-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetamide

N-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetamide (PubChem CID 82157822) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetamide
PubChem CID82157822
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetamide
SMILESCCC(C)NC(=O)CN1C(=O)CNc2cc3c(cc21)OCO3
InChIInChI=1S/C15H19N3O4/c1-3-9(2)17-14(19)7-18-11-5-13-12(21-8-22-13)4-10(11)16-6-15(18)20/h4-5,9,16H,3,6-8H2,1-2H3,(H,17,19)
InChIKeyFXMUTAHVAGQTJK-UHFFFAOYSA-N
XLogP1.09
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-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

Related Compounds

N-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 7495255
5-[2-(dimethylamino)ethyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157854
5-(3-hydroxypropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157853
5-prop-2-ynyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157858
N-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770380
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18143465
2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-methylacetamide
CID 82157627
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2R)-butan-2-yl]carbamoyl]acetamide
CID 7692108
N-[(2S)-butan-2-yl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7962137
2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide
CID 43446594
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(1-hydroxypropan-2-yl)acetamide
CID 78872400
N-butan-2-yl-2-[3-oxo-6-[2-(4-propylphenoxy)acetyl]-1,4-benzoxazin-4-yl]acetamide
CID 42846750

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetamide (CID 82157822) is N-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetamide is CCC(C)NC(=O)CN1C(=O)CNc2cc3c(cc21)OCO3.
What is the InChIKey of N-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetamide?
The InChIKey is FXMUTAHVAGQTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-3-9(2)17-14(19)7-18-11-5-13-12(21-8-22-13)4-10(11)16-6-15(18)20/h4-5,9,16H,3,6-8H2,1-2H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetamide?
N-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetamide has a molecular weight of 305.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetamide is sourced from PubChem (CID 82157822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).