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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Related Compounds

6-fluoro-4-[4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 77081679
4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one
CID 71874791
6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one
CID 121499593
(3R,4S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 135090205
6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 91778645
4-(azepane-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 24539720
1-(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 120529371
4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
CID 119415623
6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one
CID 91786288
6-fluoro-4-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-2-one
CID 70705153
(3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 119174191
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
CID 120814282

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).