1-ethyl-6-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydroquinolin-2-one

C25H35FN6O — CID 68666420

IUPAC1-ethyl-6-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(Nc3ncc(F)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)ccc21
InChIInChI=1S/C25H35FN6O/c1-7-32-20-10-9-17(12-16(20)8-11-21(32)33)29-23-27-15-19(26)22(30-23)28-18-13-24(2,3)31(6)25(4,5)14-18/h9-10,12,15,18H,7-8,11,13-14H2,1-6H3,(H2,27,28,29,30)
InChIKeyZBCCDWYUIURVCL-UHFFFAOYSA-N
MW454.59 g/mol
LogP4.72
Rot. Bonds5

About 1-ethyl-6-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydroquinolin-2-one

1-ethyl-6-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydroquinolin-2-one (PubChem CID 68666420) has the molecular formula C25H35FN6O and a molecular weight of 454.59 g/mol. Its IUPAC name is 1-ethyl-6-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-6-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydroquinolin-2-one
PubChem CID68666420
Molecular FormulaC25H35FN6O
Molecular Weight454.59 g/mol
Exact Mass454.29
IUPAC Name1-ethyl-6-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(Nc3ncc(F)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)ccc21
InChIInChI=1S/C25H35FN6O/c1-7-32-20-10-9-17(12-16(20)8-11-21(32)33)29-23-27-15-19(26)22(30-23)28-18-13-24(2,3)31(6)25(4,5)14-18/h9-10,12,15,18H,7-8,11,13-14H2,1-6H3,(H2,27,28,29,30)
InChIKeyZBCCDWYUIURVCL-UHFFFAOYSA-N
XLogP4.72
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-6-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydroquinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-ethyl-6-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydroquinolin-2-one (CID 68666420) is 1-ethyl-6-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-ethyl-6-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-ethyl-6-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydroquinolin-2-one is CCN1C(=O)CCc2cc(Nc3ncc(F)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)ccc21.
What is the InChIKey of 1-ethyl-6-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydroquinolin-2-one?
The InChIKey is ZBCCDWYUIURVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN6O/c1-7-32-20-10-9-17(12-16(20)8-11-21(32)33)29-23-27-15-19(26)22(30-23)28-18-13-24(2,3)31(6)25(4,5)14-18/h9-10,12,15,18H,7-8,11,13-14H2,1-6H3,(H2,27,28,29,30).
What are the key properties of 1-ethyl-6-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydroquinolin-2-one?
1-ethyl-6-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydroquinolin-2-one has a molecular weight of 454.59 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 68666420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).