4-(4-fluorophenyl)-7-[(2-oxopiperidin-1-yl)methyl]quinoline-2-carboxamide

C22H20FN3O2 — CID 71565735

IUPAC4-(4-fluorophenyl)-7-[(2-oxopiperidin-1-yl)methyl]quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCCC3=O)cc2n1
InChIInChI=1S/C22H20FN3O2/c23-16-7-5-15(6-8-16)18-12-20(22(24)28)25-19-11-14(4-9-17(18)19)13-26-10-2-1-3-21(26)27/h4-9,11-12H,1-3,10,13H2,(H2,24,28)
InChIKeyKSTTZFILKPTCSX-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.65
Rot. Bonds4

About 4-(4-fluorophenyl)-7-[(2-oxopiperidin-1-yl)methyl]quinoline-2-carboxamide

4-(4-fluorophenyl)-7-[(2-oxopiperidin-1-yl)methyl]quinoline-2-carboxamide (PubChem CID 71565735) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-7-[(2-oxopiperidin-1-yl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-7-[(2-oxopiperidin-1-yl)methyl]quinoline-2-carboxamide
PubChem CID71565735
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name4-(4-fluorophenyl)-7-[(2-oxopiperidin-1-yl)methyl]quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCCC3=O)cc2n1
InChIInChI=1S/C22H20FN3O2/c23-16-7-5-15(6-8-16)18-12-20(22(24)28)25-19-11-14(4-9-17(18)19)13-26-10-2-1-3-21(26)27/h4-9,11-12H,1-3,10,13H2,(H2,24,28)
InChIKeyKSTTZFILKPTCSX-UHFFFAOYSA-N
XLogP3.65
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-7-[(2-oxopiperidin-1-yl)methyl]quinoline-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-7-[(2-oxopiperidin-1-yl)methyl]quinoline-2-carboxamide (CID 71565735) is 4-(4-fluorophenyl)-7-[(2-oxopiperidin-1-yl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-7-[(2-oxopiperidin-1-yl)methyl]quinoline-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-7-[(2-oxopiperidin-1-yl)methyl]quinoline-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCCC3=O)cc2n1.
What is the InChIKey of 4-(4-fluorophenyl)-7-[(2-oxopiperidin-1-yl)methyl]quinoline-2-carboxamide?
The InChIKey is KSTTZFILKPTCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c23-16-7-5-15(6-8-16)18-12-20(22(24)28)25-19-11-14(4-9-17(18)19)13-26-10-2-1-3-21(26)27/h4-9,11-12H,1-3,10,13H2,(H2,24,28).
What are the key properties of 4-(4-fluorophenyl)-7-[(2-oxopiperidin-1-yl)methyl]quinoline-2-carboxamide?
4-(4-fluorophenyl)-7-[(2-oxopiperidin-1-yl)methyl]quinoline-2-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-7-[(2-oxopiperidin-1-yl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 71565735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).