6,8-difluoro-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide

C24H22F2N4O3 — CID 155573937

IUPAC6,8-difluoro-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
SMILESO=C1CC2(CCN(C(=O)NCc3cccc(-c4cnco4)c3)CC2)Nc2c(F)cc(F)cc21
InChIInChI=1S/C24H22F2N4O3/c25-17-9-18-20(31)11-24(29-22(18)19(26)10-17)4-6-30(7-5-24)23(32)28-12-15-2-1-3-16(8-15)21-13-27-14-33-21/h1-3,8-10,13-14,29H,4-7,11-12H2,(H,28,32)
InChIKeyFXXZVTGUUBWFQY-UHFFFAOYSA-N
MW452.46 g/mol
LogP4.36
Rot. Bonds3

About 6,8-difluoro-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide

6,8-difluoro-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 155573937) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is 6,8-difluoro-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name6,8-difluoro-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
PubChem CID155573937
Molecular FormulaC24H22F2N4O3
Molecular Weight452.46 g/mol
Exact Mass452.17
IUPAC Name6,8-difluoro-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
SMILESO=C1CC2(CCN(C(=O)NCc3cccc(-c4cnco4)c3)CC2)Nc2c(F)cc(F)cc21
InChIInChI=1S/C24H22F2N4O3/c25-17-9-18-20(31)11-24(29-22(18)19(26)10-17)4-6-30(7-5-24)23(32)28-12-15-2-1-3-16(8-15)21-13-27-14-33-21/h1-3,8-10,13-14,29H,4-7,11-12H2,(H,28,32)
InChIKeyFXXZVTGUUBWFQY-UHFFFAOYSA-N
XLogP4.36
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6,8-difluoro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573811
N-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573755
6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 167538457
N-(2H-benzimidazol-5-ylmethyl)-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 167612755
N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573948
6-fluoro-N-[[4-fluoro-3-(3-methoxyazetidin-1-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573776
N-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 23933937
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
6,8-difluoro-N-[(2-methylfuran-3-yl)methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
CID 167640852
(4S)-8-[(3-fluorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97130935
3-methyl-1-[(3-pyridin-3-ylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122010194
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

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 6,8-difluoro-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide (CID 155573937) is 6,8-difluoro-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 6,8-difluoro-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 6,8-difluoro-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide is O=C1CC2(CCN(C(=O)NCc3cccc(-c4cnco4)c3)CC2)Nc2c(F)cc(F)cc21.
What is the InChIKey of 6,8-difluoro-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide?
The InChIKey is FXXZVTGUUBWFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c25-17-9-18-20(31)11-24(29-22(18)19(26)10-17)4-6-30(7-5-24)23(32)28-12-15-2-1-3-16(8-15)21-13-27-14-33-21/h1-3,8-10,13-14,29H,4-7,11-12H2,(H,28,32).
What are the key properties of 6,8-difluoro-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide?
6,8-difluoro-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 452.46 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 155573937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).