5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-methylpentanoic acid

C15H19FN2O3 — CID 62941471

IUPAC5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-methylpentanoic acid
SMILESCC(CC(=O)O)CC(N)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C15H19FN2O3/c1-8(5-15(20)21)4-12(17)10-6-9-2-3-14(19)18-13(9)7-11(10)16/h6-8,12H,2-5,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyIJFBBXYLSTUCDI-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.21
Rot. Bonds5

About 5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-methylpentanoic acid

5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-methylpentanoic acid (PubChem CID 62941471) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-methylpentanoic acid.

Molecular Properties

Compound Name5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-methylpentanoic acid
PubChem CID62941471
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-methylpentanoic acid
SMILESCC(CC(=O)O)CC(N)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C15H19FN2O3/c1-8(5-15(20)21)4-12(17)10-6-9-2-3-14(19)18-13(9)7-11(10)16/h6-8,12H,2-5,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyIJFBBXYLSTUCDI-UHFFFAOYSA-N
XLogP2.21
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-methylpentanoic acid?
The IUPAC name of 5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-methylpentanoic acid (CID 62941471) is 5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-methylpentanoic acid.
What is the SMILES notation for 5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-methylpentanoic acid?
The canonical SMILES for 5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-methylpentanoic acid is CC(CC(=O)O)CC(N)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-methylpentanoic acid?
The InChIKey is IJFBBXYLSTUCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-8(5-15(20)21)4-12(17)10-6-9-2-3-14(19)18-13(9)7-11(10)16/h6-8,12H,2-5,17H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-methylpentanoic acid?
5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-methylpentanoic acid has a molecular weight of 294.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-methylpentanoic acid is sourced from PubChem (CID 62941471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).