methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate

C14H13FN2O4 — CID 71706440

IUPACmethyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1c[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C14H13FN2O4/c1-21-12(18)4-5-16-14(20)10-7-17-11-3-2-8(15)6-9(11)13(10)19/h2-3,6-7H,4-5H2,1H3,(H,16,20)(H,17,19)
InChIKeySGAXJXJSZSUDBG-UHFFFAOYSA-N
MW292.27 g/mol
LogP0.96
Rot. Bonds4

About methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate

methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate (PubChem CID 71706440) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate
PubChem CID71706440
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Namemethyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1c[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C14H13FN2O4/c1-21-12(18)4-5-16-14(20)10-7-17-11-3-2-8(15)6-9(11)13(10)19/h2-3,6-7H,4-5H2,1H3,(H,16,20)(H,17,19)
InChIKeySGAXJXJSZSUDBG-UHFFFAOYSA-N
XLogP0.96
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate with MolForge

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Related Compounds

6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799
methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 103696316
methyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate
CID 118578514
N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849781
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849741
N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 18473157
methyl 3-[(1-oxo-2H-isoquinoline-4-carbonyl)amino]propanoate
CID 71701636
6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 74232291
6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 25235263
6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 4654060

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate (CID 71706440) is methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate is COC(=O)CCNC(=O)c1c[nH]c2ccc(F)cc2c1=O.
What is the InChIKey of methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate?
The InChIKey is SGAXJXJSZSUDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-21-12(18)4-5-16-14(20)10-7-17-11-3-2-8(15)6-9(11)13(10)19/h2-3,6-7H,4-5H2,1H3,(H,16,20)(H,17,19).
What are the key properties of methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate?
methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate has a molecular weight of 292.27 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate is sourced from PubChem (CID 71706440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).