1-(4-chlorophenyl)-7-fluoro-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide

C21H19ClFN3O2 — CID 71456602

IUPAC1-(4-chlorophenyl)-7-fluoro-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide
SMILESO=C(NN1CCCCC1)c1cn(-c2ccc(Cl)cc2)c2cc(F)ccc2c1=O
InChIInChI=1S/C21H19ClFN3O2/c22-14-4-7-16(8-5-14)26-13-18(21(28)24-25-10-2-1-3-11-25)20(27)17-9-6-15(23)12-19(17)26/h4-9,12-13H,1-3,10-11H2,(H,24,28)
InChIKeyAJVCQINLRUJBDY-UHFFFAOYSA-N
MW399.85 g/mol
LogP3.91
Rot. Bonds3

About 1-(4-chlorophenyl)-7-fluoro-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide

1-(4-chlorophenyl)-7-fluoro-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide (PubChem CID 71456602) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-7-fluoro-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-7-fluoro-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide
PubChem CID71456602
Molecular FormulaC21H19ClFN3O2
Molecular Weight399.85 g/mol
Exact Mass399.11
IUPAC Name1-(4-chlorophenyl)-7-fluoro-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide
SMILESO=C(NN1CCCCC1)c1cn(-c2ccc(Cl)cc2)c2cc(F)ccc2c1=O
InChIInChI=1S/C21H19ClFN3O2/c22-14-4-7-16(8-5-14)26-13-18(21(28)24-25-10-2-1-3-11-25)20(27)17-9-6-15(23)12-19(17)26/h4-9,12-13H,1-3,10-11H2,(H,24,28)
InChIKeyAJVCQINLRUJBDY-UHFFFAOYSA-N
XLogP3.91
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-7-fluoro-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-7-fluoro-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide (CID 71456602) is 1-(4-chlorophenyl)-7-fluoro-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-7-fluoro-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-7-fluoro-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide is O=C(NN1CCCCC1)c1cn(-c2ccc(Cl)cc2)c2cc(F)ccc2c1=O.
What is the InChIKey of 1-(4-chlorophenyl)-7-fluoro-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide?
The InChIKey is AJVCQINLRUJBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c22-14-4-7-16(8-5-14)26-13-18(21(28)24-25-10-2-1-3-11-25)20(27)17-9-6-15(23)12-19(17)26/h4-9,12-13H,1-3,10-11H2,(H,24,28).
What are the key properties of 1-(4-chlorophenyl)-7-fluoro-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide?
1-(4-chlorophenyl)-7-fluoro-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide has a molecular weight of 399.85 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-7-fluoro-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide is sourced from PubChem (CID 71456602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).