methyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate

C20H17FN2O4 — CID 118578514

IUPACmethyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1c[nH]c2ccc(Cc3ccccc3F)cc2c1=O
InChIInChI=1S/C20H17FN2O4/c1-27-18(24)11-23-20(26)15-10-22-17-7-6-12(9-14(17)19(15)25)8-13-4-2-3-5-16(13)21/h2-7,9-10H,8,11H2,1H3,(H,22,25)(H,23,26)
InChIKeyROKGFRCADFNABG-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.16
Rot. Bonds5

About methyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate

methyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate (PubChem CID 118578514) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is methyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate
PubChem CID118578514
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Namemethyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1c[nH]c2ccc(Cc3ccccc3F)cc2c1=O
InChIInChI=1S/C20H17FN2O4/c1-27-18(24)11-23-20(26)15-10-22-17-7-6-12(9-14(17)19(15)25)8-13-4-2-3-5-16(13)21/h2-7,9-10H,8,11H2,1H3,(H,22,25)(H,23,26)
InChIKeyROKGFRCADFNABG-UHFFFAOYSA-N
XLogP2.16
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate 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

ethyl 6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate
CID 118578466
6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 25210565
methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate
CID 71706440
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
tert-butyl 2-[(7-benzyl-6-bromo-4-oxo-1H-quinoline-3-carbonyl)amino]acetate
CID 118578563
N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 18473157
6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 25235263
N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067
methyl 2-[(2-benzylbenzoyl)amino]acetate
CID 78800072
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799
N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane
CID 143617094
diethyl-[2-[(6-methoxy-4-oxo-1H-quinoline-3-carbonyl)amino]ethyl]azanium
CID 7391278

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate (CID 118578514) is methyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate is COC(=O)CNC(=O)c1c[nH]c2ccc(Cc3ccccc3F)cc2c1=O.
What is the InChIKey of methyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate?
The InChIKey is ROKGFRCADFNABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-27-18(24)11-23-20(26)15-10-22-17-7-6-12(9-14(17)19(15)25)8-13-4-2-3-5-16(13)21/h2-7,9-10H,8,11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of methyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate?
methyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate has a molecular weight of 368.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate is sourced from PubChem (CID 118578514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).