2-(6-amino-7-fluoro-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide

C13H14FN3O3 — CID 135137888

IUPAC2-(6-amino-7-fluoro-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide
SMILESCNC(=O)COc1cc2cc(N)c(F)cc2n(C)c1=O
InChIInChI=1S/C13H14FN3O3/c1-16-12(18)6-20-11-4-7-3-9(15)8(14)5-10(7)17(2)13(11)19/h3-5H,6,15H2,1-2H3,(H,16,18)
InChIKeyNCLMUWJFKOCAPI-UHFFFAOYSA-N
MW279.27 g/mol
LogP0.38
Rot. Bonds3

About 2-(6-amino-7-fluoro-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide

2-(6-amino-7-fluoro-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide (PubChem CID 135137888) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-(6-amino-7-fluoro-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide.

Molecular Properties

Compound Name2-(6-amino-7-fluoro-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide
PubChem CID135137888
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name2-(6-amino-7-fluoro-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide
SMILESCNC(=O)COc1cc2cc(N)c(F)cc2n(C)c1=O
InChIInChI=1S/C13H14FN3O3/c1-16-12(18)6-20-11-4-7-3-9(15)8(14)5-10(7)17(2)13(11)19/h3-5H,6,15H2,1-2H3,(H,16,18)
InChIKeyNCLMUWJFKOCAPI-UHFFFAOYSA-N
XLogP0.38
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(6-amino-7-fluoro-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide 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

2(1H)-Quinolinone, 3-methoxy-
CID 820270
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18112790
4-Amino-3-methoxyquinolin-2-ol
CID 3237852
(Z)-N-(4-fluorophenyl)-2-methoxy-3-phenylprop-2-enamide
CID 56971500
2-ethoxy-N-(8-fluoro-2-oxo-1H-quinolin-6-yl)acetamide
CID 46383019
2-methoxy-N-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]acetamide
CID 53565845
(Z)-3-(4-fluorophenyl)-2-methoxy-N-phenylprop-2-enamide
CID 56968198
2-Oxo-1,2-dihydroquinolin-3-yl acetate
CID 15133462
4-(4-Amino-2-methylphenyl)morpholin-3-one
CID 23105288
3-but-3-enoxy-1H-quinolin-2-one
CID 102494523
3-ethoxy-1H-quinolin-2-one
CID 14339640
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyacetamide
CID 8051675

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-7-fluoro-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide?
The IUPAC name of 2-(6-amino-7-fluoro-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide (CID 135137888) is 2-(6-amino-7-fluoro-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide.
What is the SMILES notation for 2-(6-amino-7-fluoro-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide?
The canonical SMILES for 2-(6-amino-7-fluoro-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide is CNC(=O)COc1cc2cc(N)c(F)cc2n(C)c1=O.
What is the InChIKey of 2-(6-amino-7-fluoro-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide?
The InChIKey is NCLMUWJFKOCAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3/c1-16-12(18)6-20-11-4-7-3-9(15)8(14)5-10(7)17(2)13(11)19/h3-5H,6,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(6-amino-7-fluoro-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide?
2-(6-amino-7-fluoro-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide has a molecular weight of 279.27 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-7-fluoro-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide is sourced from PubChem (CID 135137888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).