3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide

C22H24ClN3O2 — CID 45255793

About 3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide

3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide (PubChem CID 45255793) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
• PubChem CID: 45255793
• Molecular Formula: C22H24ClN3O2
• Molecular Weight: 397.91 g/mol
• Exact Mass: 397.16
• IUPAC Name: 3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
• SMILES: O=C1CCc2ccc(CN3CCC(NC(=O)c4cccc(Cl)c4)CC3)cc2N1
• InChI: InChI=1S/C22H24ClN3O2/c23-18-3-1-2-17(13-18)22(28)24-19-8-10-26(11-9-19)14-15-4-5-16-6-7-21(27)25-20(16)12-15/h1-5,12-13,19H,6-11,14H2,(H,24,28)(H,25,27)
• InChIKey: LEAQIZJJQRZBLA-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.91
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?

The IUPAC name of 3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide (CID 45255793) is 3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide.

What is the SMILES notation for 3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?

The canonical SMILES for 3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide is O=C1CCc2ccc(CN3CCC(NC(=O)c4cccc(Cl)c4)CC3)cc2N1.

What is the InChIKey of 3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?

The InChIKey is LEAQIZJJQRZBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c23-18-3-1-2-17(13-18)22(28)24-19-8-10-26(11-9-19)14-15-4-5-16-6-7-21(27)25-20(16)12-15/h1-5,12-13,19H,6-11,14H2,(H,24,28)(H,25,27).

What are the key properties of 3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?

3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide has a molecular weight of 397.91 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 45255793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).