1-(5-fluoro-3,8-dimethylquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid

C17H19FN2O3 — CID 56868321

IUPAC1-(5-fluoro-3,8-dimethylquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1cc2c(F)ccc(C)c2nc1N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C17H19FN2O3/c1-10-3-4-13(18)12-9-11(2)15(19-14(10)12)20-7-5-17(23,6-8-20)16(21)22/h3-4,9,23H,5-8H2,1-2H3,(H,21,22)
InChIKeyMOUSEVSVWNEJIT-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.41
Rot. Bonds2

About 1-(5-fluoro-3,8-dimethylquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid

1-(5-fluoro-3,8-dimethylquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 56868321) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-(5-fluoro-3,8-dimethylquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-3,8-dimethylquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID56868321
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name1-(5-fluoro-3,8-dimethylquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1cc2c(F)ccc(C)c2nc1N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C17H19FN2O3/c1-10-3-4-13(18)12-9-11(2)15(19-14(10)12)20-7-5-17(23,6-8-20)16(21)22/h3-4,9,23H,5-8H2,1-2H3,(H,21,22)
InChIKeyMOUSEVSVWNEJIT-UHFFFAOYSA-N
XLogP2.41
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3,8-dimethylquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-fluoro-3,8-dimethylquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid (CID 56868321) is 1-(5-fluoro-3,8-dimethylquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-3,8-dimethylquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-3,8-dimethylquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid is Cc1cc2c(F)ccc(C)c2nc1N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-(5-fluoro-3,8-dimethylquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is MOUSEVSVWNEJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-10-3-4-13(18)12-9-11(2)15(19-14(10)12)20-7-5-17(23,6-8-20)16(21)22/h3-4,9,23H,5-8H2,1-2H3,(H,21,22).
What are the key properties of 1-(5-fluoro-3,8-dimethylquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid?
1-(5-fluoro-3,8-dimethylquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 318.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3,8-dimethylquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 56868321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).