1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidine-3-carboxylic acid

C17H16FN3O2 — CID 122051178

IUPAC1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidine-3-carboxylic acid
SMILESCc1cc(F)cc2c(N3CCCC(C(=O)O)C3)c(C#N)cnc12
InChIInChI=1S/C17H16FN3O2/c1-10-5-13(18)6-14-15(10)20-8-12(7-19)16(14)21-4-2-3-11(9-21)17(22)23/h5-6,8,11H,2-4,9H2,1H3,(H,22,23)
InChIKeyRUYORDZNMUHCAN-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.86
Rot. Bonds2

About 1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidine-3-carboxylic acid

1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidine-3-carboxylic acid (PubChem CID 122051178) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidine-3-carboxylic acid
PubChem CID122051178
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidine-3-carboxylic acid
SMILESCc1cc(F)cc2c(N3CCCC(C(=O)O)C3)c(C#N)cnc12
InChIInChI=1S/C17H16FN3O2/c1-10-5-13(18)6-14-15(10)20-8-12(7-19)16(14)21-4-2-3-11(9-21)17(22)23/h5-6,8,11H,2-4,9H2,1H3,(H,22,23)
InChIKeyRUYORDZNMUHCAN-UHFFFAOYSA-N
XLogP2.86
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidine-3-carboxylic acid (CID 122051178) is 1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidine-3-carboxylic acid is Cc1cc(F)cc2c(N3CCCC(C(=O)O)C3)c(C#N)cnc12.
What is the InChIKey of 1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is RUYORDZNMUHCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-10-5-13(18)6-14-15(10)20-8-12(7-19)16(14)21-4-2-3-11(9-21)17(22)23/h5-6,8,11H,2-4,9H2,1H3,(H,22,23).
What are the key properties of 1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidine-3-carboxylic acid?
1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 313.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122051178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).