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

C22H22F2N4O3 — CID 155573948

IUPACN-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
SMILESNC(=O)c1cc(CNC(=O)N2CCC3(CC2)CC(=O)c2cc(F)ccc2N3)ccc1F
InChIInChI=1S/C22H22F2N4O3/c23-14-2-4-18-16(10-14)19(29)11-22(27-18)5-7-28(8-6-22)21(31)26-12-13-1-3-17(24)15(9-13)20(25)30/h1-4,9-10,27H,5-8,11-12H2,(H2,25,30)(H,26,31)
InChIKeyFFINKZOUVJIPGF-UHFFFAOYSA-N
MW428.44 g/mol
LogP2.81
Rot. Bonds3

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

N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 155573948) has the molecular formula C22H22F2N4O3 and a molecular weight of 428.44 g/mol. Its IUPAC name is N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
PubChem CID155573948
Molecular FormulaC22H22F2N4O3
Molecular Weight428.44 g/mol
Exact Mass428.17
IUPAC NameN-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
SMILESNC(=O)c1cc(CNC(=O)N2CCC3(CC2)CC(=O)c2cc(F)ccc2N3)ccc1F
InChIInChI=1S/C22H22F2N4O3/c23-14-2-4-18-16(10-14)19(29)11-22(27-18)5-7-28(8-6-22)21(31)26-12-13-1-3-17(24)15(9-13)20(25)30/h1-4,9-10,27H,5-8,11-12H2,(H2,25,30)(H,26,31)
InChIKeyFFINKZOUVJIPGF-UHFFFAOYSA-N
XLogP2.81
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 167538457
N-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573755
N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
CID 167564635
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-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-1'-[2-[(5-methyl-1H-pyrazol-3-yl)amino]acetyl]spiro[1,3-dihydroquinoline-2,4'-piperidine]-4-one
CID 166516924
4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 154575378
6,8-difluoro-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573937

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide (CID 155573948) is N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide is NC(=O)c1cc(CNC(=O)N2CCC3(CC2)CC(=O)c2cc(F)ccc2N3)ccc1F.
What is the InChIKey of N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide?
The InChIKey is FFINKZOUVJIPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3/c23-14-2-4-18-16(10-14)19(29)11-22(27-18)5-7-28(8-6-22)21(31)26-12-13-1-3-17(24)15(9-13)20(25)30/h1-4,9-10,27H,5-8,11-12H2,(H2,25,30)(H,26,31).
What are the key properties of N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide?
N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 155573948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).