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

C16H17FN2O4 — CID 99718262

IUPAC(3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid
SMILESO=C1CCc2cc(C(=O)N3CCC[C@@H](C(=O)O)C3)c(F)cc2N1
InChIInChI=1S/C16H17FN2O4/c17-12-7-13-9(3-4-14(20)18-13)6-11(12)15(21)19-5-1-2-10(8-19)16(22)23/h6-7,10H,1-5,8H2,(H,18,20)(H,22,23)/t10-/m1/s1
InChIKeyFLGQHKFZQHLOQT-SNVBAGLBSA-N
MW320.32 g/mol
LogP1.65
Rot. Bonds2

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

(3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid (PubChem CID 99718262) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is (3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid
PubChem CID99718262
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name(3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid
SMILESO=C1CCc2cc(C(=O)N3CCC[C@@H](C(=O)O)C3)c(F)cc2N1
InChIInChI=1S/C16H17FN2O4/c17-12-7-13-9(3-4-14(20)18-13)6-11(12)15(21)19-5-1-2-10(8-19)16(22)23/h6-7,10H,1-5,8H2,(H,18,20)(H,22,23)/t10-/m1/s1
InChIKeyFLGQHKFZQHLOQT-SNVBAGLBSA-N
XLogP1.65
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 136515924
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113130
6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457549
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
7-fluoro-6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 139009064
(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid
CID 81119715
1-(5-bromo-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 24710129
6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 139009096
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide
CID 99584722
1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 43355862
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674429
6-(3-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103605924

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid (CID 99718262) is (3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid is O=C1CCc2cc(C(=O)N3CCC[C@@H](C(=O)O)C3)c(F)cc2N1.
What is the InChIKey of (3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is FLGQHKFZQHLOQT-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17FN2O4/c17-12-7-13-9(3-4-14(20)18-13)6-11(12)15(21)19-5-1-2-10(8-19)16(22)23/h6-7,10H,1-5,8H2,(H,18,20)(H,22,23)/t10-/m1/s1.
What are the key properties of (3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 320.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 99718262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).