1-[5-fluoro-6-[4-hydroxy-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]-2-methylquinolin-3-yl]-1,3-diazinane-2,4-dione

C25H33FN4O3 — CID 177017283

IUPAC1-[5-fluoro-6-[4-hydroxy-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]-2-methylquinolin-3-yl]-1,3-diazinane-2,4-dione
SMILESCc1nc2ccc(C3(O)CCN(CC(C)C)CC3(C)C)c(F)c2cc1N1CCC(=O)NC1=O
InChIInChI=1S/C25H33FN4O3/c1-15(2)13-29-11-9-25(33,24(4,5)14-29)18-6-7-19-17(22(18)26)12-20(16(3)27-19)30-10-8-21(31)28-23(30)32/h6-7,12,15,33H,8-11,13-14H2,1-5H3,(H,28,31,32)
InChIKeyIOHCBNGEWRPKNZ-UHFFFAOYSA-N
MW456.56 g/mol
LogP3.70
Rot. Bonds4

About 1-[5-fluoro-6-[4-hydroxy-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]-2-methylquinolin-3-yl]-1,3-diazinane-2,4-dione

1-[5-fluoro-6-[4-hydroxy-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]-2-methylquinolin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 177017283) has the molecular formula C25H33FN4O3 and a molecular weight of 456.56 g/mol. Its IUPAC name is 1-[5-fluoro-6-[4-hydroxy-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]-2-methylquinolin-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-fluoro-6-[4-hydroxy-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]-2-methylquinolin-3-yl]-1,3-diazinane-2,4-dione
PubChem CID177017283
Molecular FormulaC25H33FN4O3
Molecular Weight456.56 g/mol
Exact Mass456.25
IUPAC Name1-[5-fluoro-6-[4-hydroxy-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]-2-methylquinolin-3-yl]-1,3-diazinane-2,4-dione
SMILESCc1nc2ccc(C3(O)CCN(CC(C)C)CC3(C)C)c(F)c2cc1N1CCC(=O)NC1=O
InChIInChI=1S/C25H33FN4O3/c1-15(2)13-29-11-9-25(33,24(4,5)14-29)18-6-7-19-17(22(18)26)12-20(16(3)27-19)30-10-8-21(31)28-23(30)32/h6-7,12,15,33H,8-11,13-14H2,1-5H3,(H,28,31,32)
InChIKeyIOHCBNGEWRPKNZ-UHFFFAOYSA-N
XLogP3.70
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-fluoro-6-[4-hydroxy-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]-2-methylquinolin-3-yl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

3-[5-fluoro-6-[(4R)-4-hydroxy-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177016984
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
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-[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
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-[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-[6-[(4S)-1-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione
CID 177017369
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
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
(3S)-3-[6-[(4R)-1-[[4-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione
CID 177016122

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-6-[4-hydroxy-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]-2-methylquinolin-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-fluoro-6-[4-hydroxy-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]-2-methylquinolin-3-yl]-1,3-diazinane-2,4-dione (CID 177017283) is 1-[5-fluoro-6-[4-hydroxy-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]-2-methylquinolin-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[5-fluoro-6-[4-hydroxy-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]-2-methylquinolin-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-fluoro-6-[4-hydroxy-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]-2-methylquinolin-3-yl]-1,3-diazinane-2,4-dione is Cc1nc2ccc(C3(O)CCN(CC(C)C)CC3(C)C)c(F)c2cc1N1CCC(=O)NC1=O.
What is the InChIKey of 1-[5-fluoro-6-[4-hydroxy-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]-2-methylquinolin-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is IOHCBNGEWRPKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O3/c1-15(2)13-29-11-9-25(33,24(4,5)14-29)18-6-7-19-17(22(18)26)12-20(16(3)27-19)30-10-8-21(31)28-23(30)32/h6-7,12,15,33H,8-11,13-14H2,1-5H3,(H,28,31,32).
What are the key properties of 1-[5-fluoro-6-[4-hydroxy-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]-2-methylquinolin-3-yl]-1,3-diazinane-2,4-dione?
1-[5-fluoro-6-[4-hydroxy-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]-2-methylquinolin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 456.56 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-6-[4-hydroxy-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]-2-methylquinolin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177017283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).