1-(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

C16H15FN2O5 — CID 56861198

IUPAC1-(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H15FN2O5/c17-9-1-2-12-10(7-9)11(8-13(20)18-12)14(21)19-5-3-16(24,4-6-19)15(22)23/h1-2,7-8,24H,3-6H2,(H,18,20)(H,22,23)
InChIKeyMXHMWEZOXXXOEF-UHFFFAOYSA-N
MW334.30 g/mol
LogP0.72
Rot. Bonds2

About 1-(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

1-(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 56861198) has the molecular formula C16H15FN2O5 and a molecular weight of 334.30 g/mol. Its IUPAC name is 1-(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID56861198
Molecular FormulaC16H15FN2O5
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name1-(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H15FN2O5/c17-9-1-2-12-10(7-9)11(8-13(20)18-12)14(21)19-5-3-16(24,4-6-19)15(22)23/h1-2,7-8,24H,3-6H2,(H,18,20)(H,22,23)
InChIKeyMXHMWEZOXXXOEF-UHFFFAOYSA-N
XLogP0.72
TPSA110.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (CID 56861198) is 1-(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is O=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is MXHMWEZOXXXOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O5/c17-9-1-2-12-10(7-9)11(8-13(20)18-12)14(21)19-5-3-16(24,4-6-19)15(22)23/h1-2,7-8,24H,3-6H2,(H,18,20)(H,22,23).
What are the key properties of 1-(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 334.30 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 56861198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).