1-(4-fluorophenyl)-4-oxo-6-(2-pyridin-3-ylpiperidin-1-yl)quinoline-3-carboxamide

C26H23FN4O2 — CID 121447898

IUPAC1-(4-fluorophenyl)-4-oxo-6-(2-pyridin-3-ylpiperidin-1-yl)quinoline-3-carboxamide
SMILESNC(=O)c1cn(-c2ccc(F)cc2)c2ccc(N3CCCCC3c3cccnc3)cc2c1=O
InChIInChI=1S/C26H23FN4O2/c27-18-6-8-19(9-7-18)31-16-22(26(28)33)25(32)21-14-20(10-11-24(21)31)30-13-2-1-5-23(30)17-4-3-12-29-15-17/h3-4,6-12,14-16,23H,1-2,5,13H2,(H2,28,33)
InChIKeyRPCAZHGYBCZFKO-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.36
Rot. Bonds4

About 1-(4-fluorophenyl)-4-oxo-6-(2-pyridin-3-ylpiperidin-1-yl)quinoline-3-carboxamide

1-(4-fluorophenyl)-4-oxo-6-(2-pyridin-3-ylpiperidin-1-yl)quinoline-3-carboxamide (PubChem CID 121447898) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-oxo-6-(2-pyridin-3-ylpiperidin-1-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-oxo-6-(2-pyridin-3-ylpiperidin-1-yl)quinoline-3-carboxamide
PubChem CID121447898
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC Name1-(4-fluorophenyl)-4-oxo-6-(2-pyridin-3-ylpiperidin-1-yl)quinoline-3-carboxamide
SMILESNC(=O)c1cn(-c2ccc(F)cc2)c2ccc(N3CCCCC3c3cccnc3)cc2c1=O
InChIInChI=1S/C26H23FN4O2/c27-18-6-8-19(9-7-18)31-16-22(26(28)33)25(32)21-14-20(10-11-24(21)31)30-13-2-1-5-23(30)17-4-3-12-29-15-17/h3-4,6-12,14-16,23H,1-2,5,13H2,(H2,28,33)
InChIKeyRPCAZHGYBCZFKO-UHFFFAOYSA-N
XLogP4.36
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-oxo-6-(2-pyridin-3-ylpiperidin-1-yl)quinoline-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-oxo-6-(2-pyridin-3-ylpiperidin-1-yl)quinoline-3-carboxamide (CID 121447898) is 1-(4-fluorophenyl)-4-oxo-6-(2-pyridin-3-ylpiperidin-1-yl)quinoline-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-oxo-6-(2-pyridin-3-ylpiperidin-1-yl)quinoline-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-oxo-6-(2-pyridin-3-ylpiperidin-1-yl)quinoline-3-carboxamide is NC(=O)c1cn(-c2ccc(F)cc2)c2ccc(N3CCCCC3c3cccnc3)cc2c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-4-oxo-6-(2-pyridin-3-ylpiperidin-1-yl)quinoline-3-carboxamide?
The InChIKey is RPCAZHGYBCZFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2/c27-18-6-8-19(9-7-18)31-16-22(26(28)33)25(32)21-14-20(10-11-24(21)31)30-13-2-1-5-23(30)17-4-3-12-29-15-17/h3-4,6-12,14-16,23H,1-2,5,13H2,(H2,28,33).
What are the key properties of 1-(4-fluorophenyl)-4-oxo-6-(2-pyridin-3-ylpiperidin-1-yl)quinoline-3-carboxamide?
1-(4-fluorophenyl)-4-oxo-6-(2-pyridin-3-ylpiperidin-1-yl)quinoline-3-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-oxo-6-(2-pyridin-3-ylpiperidin-1-yl)quinoline-3-carboxamide is sourced from PubChem (CID 121447898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).