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

C30H30FN5O4 — CID 177015922

IUPAC1-[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
SMILESCC1(C)CN(Cc2ccc(-c3ccon3)cc2)CCC1(O)c1ccc2ncc(N3CCC(=O)NC3=O)cc2c1F
InChIInChI=1S/C30H30FN5O4/c1-29(2)18-35(17-19-3-5-20(6-4-19)24-10-14-40-34-24)13-11-30(29,39)23-7-8-25-22(27(23)31)15-21(16-32-25)36-12-9-26(37)33-28(36)38/h3-8,10,14-16,39H,9,11-13,17-18H2,1-2H3,(H,33,37,38)
InChIKeyJPLWMUJIPRMKHE-UHFFFAOYSA-N
MW543.60 g/mol
LogP4.59
Rot. Bonds5

About 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

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 (PubChem CID 177015922) has the molecular formula C30H30FN5O4 and a molecular weight of 543.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID177015922
Molecular FormulaC30H30FN5O4
Molecular Weight543.60 g/mol
Exact Mass543.23
IUPAC Name1-[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
SMILESCC1(C)CN(Cc2ccc(-c3ccon3)cc2)CCC1(O)c1ccc2ncc(N3CCC(=O)NC3=O)cc2c1F
InChIInChI=1S/C30H30FN5O4/c1-29(2)18-35(17-19-3-5-20(6-4-19)24-10-14-40-34-24)13-11-30(29,39)23-7-8-25-22(27(23)31)15-21(16-32-25)36-12-9-26(37)33-28(36)38/h3-8,10,14-16,39H,9,11-13,17-18H2,1-2H3,(H,33,37,38)
InChIKeyJPLWMUJIPRMKHE-UHFFFAOYSA-N
XLogP4.59
TPSA111.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.60
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CN(Cc2ccc(-c3ccon3)cc2)CCC1(O)c1ccc2ncc(N3CCC(=O)NC3=O)cc2c1F.
What is the InChIKey of 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?
The InChIKey is JPLWMUJIPRMKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN5O4/c1-29(2)18-35(17-19-3-5-20(6-4-19)24-10-14-40-34-24)13-11-30(29,39)23-7-8-25-22(27(23)31)15-21(16-32-25)36-12-9-26(37)33-28(36)38/h3-8,10,14-16,39H,9,11-13,17-18H2,1-2H3,(H,33,37,38).
What are the key properties of 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?
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 has a molecular weight of 543.60 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177015922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).