1-[6-[(4R)-1-[[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]-1,3-diazinane-2,4-dione

C29H28ClFN6O4 — CID 177016262

IUPAC1-[6-[(4R)-1-[[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]-1,3-diazinane-2,4-dione
SMILESCC1(C)CN(Cc2ccc(-c3nnco3)c(Cl)c2)CC[C@]1(O)c1ccc2ncc(N3CCC(=O)NC3=O)cc2c1F
InChIInChI=1S/C29H28ClFN6O4/c1-28(2)15-36(14-17-3-4-19(22(30)11-17)26-35-33-16-41-26)10-8-29(28,40)21-5-6-23-20(25(21)31)12-18(13-32-23)37-9-7-24(38)34-27(37)39/h3-6,11-13,16,40H,7-10,14-15H2,1-2H3,(H,34,38,39)/t29-/m0/s1
InChIKeyWYXXOMOHEPSEFC-LJAQVGFWSA-N
MW579.03 g/mol
LogP4.64
Rot. Bonds5

About 1-[6-[(4R)-1-[[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]-1,3-diazinane-2,4-dione

1-[6-[(4R)-1-[[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 177016262) has the molecular formula C29H28ClFN6O4 and a molecular weight of 579.03 g/mol. Its IUPAC name is 1-[6-[(4R)-1-[[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[6-[(4R)-1-[[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]-1,3-diazinane-2,4-dione
PubChem CID177016262
Molecular FormulaC29H28ClFN6O4
Molecular Weight579.03 g/mol
Exact Mass578.18
IUPAC Name1-[6-[(4R)-1-[[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]-1,3-diazinane-2,4-dione
SMILESCC1(C)CN(Cc2ccc(-c3nnco3)c(Cl)c2)CC[C@]1(O)c1ccc2ncc(N3CCC(=O)NC3=O)cc2c1F
InChIInChI=1S/C29H28ClFN6O4/c1-28(2)15-36(14-17-3-4-19(22(30)11-17)26-35-33-16-41-26)10-8-29(28,40)21-5-6-23-20(25(21)31)12-18(13-32-23)37-9-7-24(38)34-27(37)39/h3-6,11-13,16,40H,7-10,14-15H2,1-2H3,(H,34,38,39)/t29-/m0/s1
InChIKeyWYXXOMOHEPSEFC-LJAQVGFWSA-N
XLogP4.64
TPSA124.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.03
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[6-[(4R)-1-[[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]-1,3-diazinane-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

1-[5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethyl-1-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]piperidin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione
CID 177016097
1-[5-fluoro-6-[4-hydroxy-3,3-dimethyl-1-[[4-(1,2-oxazol-3-yl)phenyl]methyl]piperidin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione
CID 177015922
1-[5-fluoro-6-[4-hydroxy-3,3-dimethyl-1-[[3-(oxetan-3-yl)-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione
CID 177016653
1-[6-[1-[[3-chloro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]-2-hydroxy-1,3-diazinan-4-one
CID 177015980
5-[[(4R)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-5-fluoroquinolin-6-yl]-4-hydroxy-3,3-dimethylpiperidin-1-yl]methyl]-2-(2-methoxyethoxy)benzonitrile
CID 177017143
1-[5-fluoro-6-[1-methyl-3-[[4-(1,3-oxazol-2-yl)phenyl]methyl]-7-oxa-3-azabicyclo[4.1.0]heptan-6-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione
CID 177016702
3-[5-fluoro-6-[(4R)-4-hydroxy-3,3-dimethyl-1-[[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177017486
3-[5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethyl-1-[[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177017432
3-[6-[(4R)-1-[[4-(6-chloropyridazin-3-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione
CID 177016255
3-[6-[(4R)-1-[[3-(difluoromethyl)-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione
CID 177015939
1-[5-fluoro-6-[3-hydroxy-3-methyl-1-[[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]piperidin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione
CID 177015954
5-[[4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxy-3,3-dimethylpiperidin-1-yl]methyl]pyridine-2-carboxamide
CID 177016739

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(4R)-1-[[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[6-[(4R)-1-[[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]-1,3-diazinane-2,4-dione (CID 177016262) is 1-[6-[(4R)-1-[[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[6-[(4R)-1-[[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[6-[(4R)-1-[[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]-1,3-diazinane-2,4-dione is CC1(C)CN(Cc2ccc(-c3nnco3)c(Cl)c2)CC[C@]1(O)c1ccc2ncc(N3CCC(=O)NC3=O)cc2c1F.
What is the InChIKey of 1-[6-[(4R)-1-[[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is WYXXOMOHEPSEFC-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H28ClFN6O4/c1-28(2)15-36(14-17-3-4-19(22(30)11-17)26-35-33-16-41-26)10-8-29(28,40)21-5-6-23-20(25(21)31)12-18(13-32-23)37-9-7-24(38)34-27(37)39/h3-6,11-13,16,40H,7-10,14-15H2,1-2H3,(H,34,38,39)/t29-/m0/s1.
What are the key properties of 1-[6-[(4R)-1-[[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]-1,3-diazinane-2,4-dione?
1-[6-[(4R)-1-[[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 579.03 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(4R)-1-[[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177016262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).