(3R)-1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid

C18H21FN2O4 — CID 99638960

IUPAC(3R)-1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)CCN2C(=O)CCc3cc(F)ccc32)C1
InChIInChI=1S/C18H21FN2O4/c19-14-4-5-15-12(10-14)3-6-17(23)21(15)9-7-16(22)20-8-1-2-13(11-20)18(24)25/h4-5,10,13H,1-3,6-9,11H2,(H,24,25)/t13-/m1/s1
InChIKeyAYYGHYDZPVAGIT-CYBMUJFWSA-N
MW348.37 g/mol
LogP1.82
Rot. Bonds4

About (3R)-1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid

(3R)-1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid (PubChem CID 99638960) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is (3R)-1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid
PubChem CID99638960
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC Name(3R)-1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)CCN2C(=O)CCc3cc(F)ccc32)C1
InChIInChI=1S/C18H21FN2O4/c19-14-4-5-15-12(10-14)3-6-17(23)21(15)9-7-16(22)20-8-1-2-13(11-20)18(24)25/h4-5,10,13H,1-3,6-9,11H2,(H,24,25)/t13-/m1/s1
InChIKeyAYYGHYDZPVAGIT-CYBMUJFWSA-N
XLogP1.82
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid (CID 99638960) is (3R)-1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)CCN2C(=O)CCc3cc(F)ccc32)C1.
What is the InChIKey of (3R)-1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is AYYGHYDZPVAGIT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21FN2O4/c19-14-4-5-15-12(10-14)3-6-17(23)21(15)9-7-16(22)20-8-1-2-13(11-20)18(24)25/h4-5,10,13H,1-3,6-9,11H2,(H,24,25)/t13-/m1/s1.
What are the key properties of (3R)-1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid?
(3R)-1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 348.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 99638960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).