6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide

C22H23F2N3O2 — CID 167538457

IUPAC6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
SMILESCc1cc(CNC(=O)N2CCC3(CC2)CC(=O)c2cc(F)ccc2N3)ccc1F
InChIInChI=1S/C22H23F2N3O2/c1-14-10-15(2-4-18(14)24)13-25-21(29)27-8-6-22(7-9-27)12-20(28)17-11-16(23)3-5-19(17)26-22/h2-5,10-11,26H,6-9,12-13H2,1H3,(H,25,29)
InChIKeyLZTSOMKAAJVZNZ-UHFFFAOYSA-N
MW399.44 g/mol
LogP4.02
Rot. Bonds2

About 6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide

6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 167538457) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is 6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
PubChem CID167538457
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC Name6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
SMILESCc1cc(CNC(=O)N2CCC3(CC2)CC(=O)c2cc(F)ccc2N3)ccc1F
InChIInChI=1S/C22H23F2N3O2/c1-14-10-15(2-4-18(14)24)13-25-21(29)27-8-6-22(7-9-27)12-20(28)17-11-16(23)3-5-19(17)26-22/h2-5,10-11,26H,6-9,12-13H2,1H3,(H,25,29)
InChIKeyLZTSOMKAAJVZNZ-UHFFFAOYSA-N
XLogP4.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide with MolForge

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Related Compounds

N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573948
N-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573755
N-(2H-benzimidazol-5-ylmethyl)-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 167612755
6-fluoro-N-[[4-fluoro-3-(3-methoxyazetidin-1-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573776
6,8-difluoro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573811
methyl 2-fluoro-5-[[(6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carbonyl)amino]methyl]benzoate
CID 167612068
6-fluoro-1'-[2-[(5-methyl-1H-pyrazol-3-yl)amino]acetyl]spiro[1,3-dihydroquinoline-2,4'-piperidine]-4-one
CID 166516924
N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
CID 167564635
6-fluoro-N-[[4-fluoro-3-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide
CID 155574021
6-fluoro-N-[[4-fluoro-3-[[(2S)-2-hydroxypropyl]carbamoyl]phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide
CID 155573995
6-fluoro-N-[[4-fluoro-3-(2-methoxyethylamino)phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide
CID 155573996
4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 154575378

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide (CID 167538457) is 6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide is Cc1cc(CNC(=O)N2CCC3(CC2)CC(=O)c2cc(F)ccc2N3)ccc1F.
What is the InChIKey of 6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide?
The InChIKey is LZTSOMKAAJVZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c1-14-10-15(2-4-18(14)24)13-25-21(29)27-8-6-22(7-9-27)12-20(28)17-11-16(23)3-5-19(17)26-22/h2-5,10-11,26H,6-9,12-13H2,1H3,(H,25,29).
What are the key properties of 6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide?
6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 167538457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).