(2R,3R)-1-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid

C16H19FN2O5S — CID 122105258

IUPAC(2R,3R)-1-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C16H19FN2O5S/c1-9-11(16(21)22)3-2-6-19(9)25(23,24)14-7-10-4-5-15(20)18-13(10)8-12(14)17/h7-9,11H,2-6H2,1H3,(H,18,20)(H,21,22)/t9-,11-/m1/s1
InChIKeyZVDPXIQJILWLJK-MWLCHTKSSA-N
MW370.40 g/mol
LogP1.58
Rot. Bonds3

About (2R,3R)-1-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid

(2R,3R)-1-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid (PubChem CID 122105258) has the molecular formula C16H19FN2O5S and a molecular weight of 370.40 g/mol. Its IUPAC name is (2R,3R)-1-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid
PubChem CID122105258
Molecular FormulaC16H19FN2O5S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC Name(2R,3R)-1-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C16H19FN2O5S/c1-9-11(16(21)22)3-2-6-19(9)25(23,24)14-7-10-4-5-15(20)18-13(10)8-12(14)17/h7-9,11H,2-6H2,1H3,(H,18,20)(H,21,22)/t9-,11-/m1/s1
InChIKeyZVDPXIQJILWLJK-MWLCHTKSSA-N
XLogP1.58
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-1-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid (CID 122105258) is (2R,3R)-1-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-1-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-1-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of (2R,3R)-1-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid?
The InChIKey is ZVDPXIQJILWLJK-MWLCHTKSSA-N. The full InChI is InChI=1S/C16H19FN2O5S/c1-9-11(16(21)22)3-2-6-19(9)25(23,24)14-7-10-4-5-15(20)18-13(10)8-12(14)17/h7-9,11H,2-6H2,1H3,(H,18,20)(H,21,22)/t9-,11-/m1/s1.
What are the key properties of (2R,3R)-1-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid?
(2R,3R)-1-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid has a molecular weight of 370.40 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122105258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).