1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-2-one

C23H23F2N5O2 — CID 167528100

IUPAC1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-2-one
SMILES[2H]C([2H])([2H])n1c(=O)n([C@@H]2CCN(C)CC2(F)F)c2c3cc(-c4ccc(OC)nc4)ccc3ncc21
InChIInChI=1S/C23H23F2N5O2/c1-28-9-8-19(23(24,25)13-28)30-21-16-10-14(15-5-7-20(32-3)27-11-15)4-6-17(16)26-12-18(21)29(2)22(30)31/h4-7,10-12,19H,8-9,13H2,1-3H3/t19-/m1/s1/i2D3
InChIKeyBUEJZHFNXQJGJW-ZRJNCLLBSA-N
MW442.48 g/mol
LogP3.47
Rot. Bonds4

About 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-2-one

1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-2-one (PubChem CID 167528100) has the molecular formula C23H23F2N5O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-2-one
PubChem CID167528100
Molecular FormulaC23H23F2N5O2
Molecular Weight442.48 g/mol
Exact Mass442.20
IUPAC Name1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-2-one
SMILES[2H]C([2H])([2H])n1c(=O)n([C@@H]2CCN(C)CC2(F)F)c2c3cc(-c4ccc(OC)nc4)ccc3ncc21
InChIInChI=1S/C23H23F2N5O2/c1-28-9-8-19(23(24,25)13-28)30-21-16-10-14(15-5-7-20(32-3)27-11-15)4-6-17(16)26-12-18(21)29(2)22(30)31/h4-7,10-12,19H,8-9,13H2,1-3H3/t19-/m1/s1/i2D3
InChIKeyBUEJZHFNXQJGJW-ZRJNCLLBSA-N
XLogP3.47
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-2-one with MolForge

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Related Compounds

8-[6-(deuteriomethoxy)-3-pyridinyl]-1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 168863875
8-[6-(deuteriomethoxy)-3-pyridinyl]-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 168863881
1-(1-ethyl-3,3-difluoropiperidin-4-yl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 167528089
1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 167528112
1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 167528103
8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxetan-2-yl)imidazo[4,5-c]quinolin-2-one
CID 152570701
8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 57344810
1-cyclobutyl-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;2,2,2-trifluoroacetic acid
CID 118523405
8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one
CID 123853510
N,N-dimethyl-3-[[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine oxide
CID 131986481
but-2-enedioic acid;1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(trifluoromethyl)phenyl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 66871139
ethyl 2-[3-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetate
CID 86267360

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-2-one (CID 167528100) is 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-2-one is [2H]C([2H])([2H])n1c(=O)n([C@@H]2CCN(C)CC2(F)F)c2c3cc(-c4ccc(OC)nc4)ccc3ncc21.
What is the InChIKey of 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is BUEJZHFNXQJGJW-ZRJNCLLBSA-N. The full InChI is InChI=1S/C23H23F2N5O2/c1-28-9-8-19(23(24,25)13-28)30-21-16-10-14(15-5-7-20(32-3)27-11-15)4-6-17(16)26-12-18(21)29(2)22(30)31/h4-7,10-12,19H,8-9,13H2,1-3H3/t19-/m1/s1/i2D3.
What are the key properties of 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-2-one?
1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 442.48 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 167528100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).