1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid

C17H19FN2O4 — CID 122113130

IUPAC1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C17H19FN2O4/c1-9-2-3-11(17(23)24)8-20(9)16(22)12-6-10-4-5-15(21)19-14(10)7-13(12)18/h6-7,9,11H,2-5,8H2,1H3,(H,19,21)(H,23,24)
InChIKeyRUZHCKJSNFOZOF-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.04
Rot. Bonds2

About 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid

1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122113130) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122113130
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C17H19FN2O4/c1-9-2-3-11(17(23)24)8-20(9)16(22)12-6-10-4-5-15(21)19-14(10)7-13(12)18/h6-7,9,11H,2-5,8H2,1H3,(H,19,21)(H,23,24)
InChIKeyRUZHCKJSNFOZOF-UHFFFAOYSA-N
XLogP2.04
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid (CID 122113130) is 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is RUZHCKJSNFOZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c1-9-2-3-11(17(23)24)8-20(9)16(22)12-6-10-4-5-15(21)19-14(10)7-13(12)18/h6-7,9,11H,2-5,8H2,1H3,(H,19,21)(H,23,24).
What are the key properties of 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid?
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 334.35 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122113130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).