6-fluoro-N-[[4-fluoro-3-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide

C27H32F2N4O4 — CID 155574021

IUPAC6-fluoro-N-[[4-fluoro-3-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide
SMILESCN1c2ccc(F)cc2C(=O)CC12CCN(C(=O)NCc1ccc(F)c(C(=O)NCC(C)(C)O)c1)CC2
InChIInChI=1S/C27H32F2N4O4/c1-26(2,37)16-31-24(35)19-12-17(4-6-21(19)29)15-30-25(36)33-10-8-27(9-11-33)14-23(34)20-13-18(28)5-7-22(20)32(27)3/h4-7,12-13,37H,8-11,14-16H2,1-3H3,(H,30,36)(H,31,35)
InChIKeyWXWRSBVPZBXILB-UHFFFAOYSA-N
MW514.57 g/mol
LogP3.23
Rot. Bonds5

About 6-fluoro-N-[[4-fluoro-3-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide

6-fluoro-N-[[4-fluoro-3-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 155574021) has the molecular formula C27H32F2N4O4 and a molecular weight of 514.57 g/mol. Its IUPAC name is 6-fluoro-N-[[4-fluoro-3-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[[4-fluoro-3-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide
PubChem CID155574021
Molecular FormulaC27H32F2N4O4
Molecular Weight514.57 g/mol
Exact Mass514.24
IUPAC Name6-fluoro-N-[[4-fluoro-3-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide
SMILESCN1c2ccc(F)cc2C(=O)CC12CCN(C(=O)NCc1ccc(F)c(C(=O)NCC(C)(C)O)c1)CC2
InChIInChI=1S/C27H32F2N4O4/c1-26(2,37)16-31-24(35)19-12-17(4-6-21(19)29)15-30-25(36)33-10-8-27(9-11-33)14-23(34)20-13-18(28)5-7-22(20)32(27)3/h4-7,12-13,37H,8-11,14-16H2,1-3H3,(H,30,36)(H,31,35)
InChIKeyWXWRSBVPZBXILB-UHFFFAOYSA-N
XLogP3.23
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.57
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
6-fluoro-N-[[4-fluoro-3-[2-(2-oxopyrrolidin-1-yl)ethylamino]phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide
CID 155574008
N-[[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide
CID 155573826
(1R)-1-[5-(aminomethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;N-[[3-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one
CID 167657684
N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573948
(2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane
CID 167637368
6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 167538457
methyl 2-fluoro-5-[[(6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carbonyl)amino]methyl]benzoate
CID 167612068
N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
CID 167564635
1-fluoro-N-[[4-fluoro-3-(oxetan-3-ylcarbamoyl)phenyl]methyl]-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide
CID 175706275
6-fluoro-N-[[4-fluoro-3-(3-methoxyazetidin-1-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573776

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[4-fluoro-3-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 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) is 6-fluoro-N-[[4-fluoro-3-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 6-fluoro-N-[[4-fluoro-3-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 6-fluoro-N-[[4-fluoro-3-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide is CN1c2ccc(F)cc2C(=O)CC12CCN(C(=O)NCc1ccc(F)c(C(=O)NCC(C)(C)O)c1)CC2.
What is the InChIKey of 6-fluoro-N-[[4-fluoro-3-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide?
The InChIKey is WXWRSBVPZBXILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N4O4/c1-26(2,37)16-31-24(35)19-12-17(4-6-21(19)29)15-30-25(36)33-10-8-27(9-11-33)14-23(34)20-13-18(28)5-7-22(20)32(27)3/h4-7,12-13,37H,8-11,14-16H2,1-3H3,(H,30,36)(H,31,35).
What are the key properties of 6-fluoro-N-[[4-fluoro-3-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide?
6-fluoro-N-[[4-fluoro-3-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 514.57 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[[4-fluoro-3-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 155574021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).