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

C15H17FN2O4 — CID 120524210

IUPAC3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)O
InChIInChI=1S/C15H17FN2O4/c1-8(15(21)22)7-18(2)14(20)10-5-9-3-4-13(19)17-12(9)6-11(10)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,19)(H,21,22)
InChIKeyXLDLXRKTXDNEJD-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.50
Rot. Bonds4

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

3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 120524210) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID120524210
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)O
InChIInChI=1S/C15H17FN2O4/c1-8(15(21)22)7-18(2)14(20)10-5-9-3-4-13(19)17-12(9)6-11(10)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,19)(H,21,22)
InChIKeyXLDLXRKTXDNEJD-UHFFFAOYSA-N
XLogP1.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103500030
2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]propanoic acid
CID 119358178
3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516375
7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110003451
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457554
3-[(2,4-difluorobenzoyl)-methylamino]-2-methylpropanoic acid
CID 55008235
2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119347987
6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457528
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
2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid
CID 61327398

Frequently Asked Questions

What is the IUPAC name of 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]-2-methylpropanoic acid (CID 120524210) is 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)O.
What is the InChIKey of 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is XLDLXRKTXDNEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4/c1-8(15(21)22)7-18(2)14(20)10-5-9-3-4-13(19)17-12(9)6-11(10)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,19)(H,21,22).
What are the key properties of 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]-2-methylpropanoic acid?
3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 308.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 120524210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).