2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid

C14H15FN2O4 — CID 119358178

IUPAC2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C14H15FN2O4/c1-7(14(20)21)17(2)13(19)9-5-8-3-4-12(18)16-11(8)6-10(9)15/h5-7H,3-4H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyVHXIWUPTSUAZES-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.26
Rot. Bonds3

About 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid

2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid (PubChem CID 119358178) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid
PubChem CID119358178
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C14H15FN2O4/c1-7(14(20)21)17(2)13(19)9-5-8-3-4-12(18)16-11(8)6-10(9)15/h5-7H,3-4H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyVHXIWUPTSUAZES-UHFFFAOYSA-N
XLogP1.26
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid with MolForge

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Related Compounds

3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]-2-methylpropanoic acid
CID 120524210
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103500030
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516375
7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457554
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid
CID 120534807
6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457528
7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110003451
2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119347987
3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 120522203
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298263
6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457549

Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid (CID 119358178) is 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid?
The InChIKey is VHXIWUPTSUAZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c1-7(14(20)21)17(2)13(19)9-5-8-3-4-12(18)16-11(8)6-10(9)15/h5-7H,3-4H2,1-2H3,(H,16,18)(H,20,21).
What are the key properties of 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid?
2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid has a molecular weight of 294.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 119358178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).