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

C23H23F2N5O2 — CID 168863875

IUPAC8-[6-(deuteriomethoxy)-3-pyridinyl]-1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILES[2H]COc1ccc(-c2ccc3ncc4c(c3c2)n([C@@H]2CCN(C)CC2(F)F)c(=O)n4C)cn1
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/i3D
InChIKeyBUEJZHFNXQJGJW-PDCCHLGHSA-N
MW440.47 g/mol
LogP3.47
Rot. Bonds4

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

8-[6-(deuteriomethoxy)-3-pyridinyl]-1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 168863875) has the molecular formula C23H23F2N5O2 and a molecular weight of 440.47 g/mol. Its IUPAC name is 8-[6-(deuteriomethoxy)-3-pyridinyl]-1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-(deuteriomethoxy)-3-pyridinyl]-1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID168863875
Molecular FormulaC23H23F2N5O2
Molecular Weight440.47 g/mol
Exact Mass440.19
IUPAC Name8-[6-(deuteriomethoxy)-3-pyridinyl]-1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILES[2H]COc1ccc(-c2ccc3ncc4c(c3c2)n([C@@H]2CCN(C)CC2(F)F)c(=O)n4C)cn1
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/i3D
InChIKeyBUEJZHFNXQJGJW-PDCCHLGHSA-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 ≤ 500440.47
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(deuteriomethoxy)-3-pyridinyl]-1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-(deuteriomethoxy)-3-pyridinyl]-1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one (CID 168863875) is 8-[6-(deuteriomethoxy)-3-pyridinyl]-1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-(deuteriomethoxy)-3-pyridinyl]-1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-(deuteriomethoxy)-3-pyridinyl]-1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one is [2H]COc1ccc(-c2ccc3ncc4c(c3c2)n([C@@H]2CCN(C)CC2(F)F)c(=O)n4C)cn1.
What is the InChIKey of 8-[6-(deuteriomethoxy)-3-pyridinyl]-1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is BUEJZHFNXQJGJW-PDCCHLGHSA-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/i3D.
What are the key properties of 8-[6-(deuteriomethoxy)-3-pyridinyl]-1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one?
8-[6-(deuteriomethoxy)-3-pyridinyl]-1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 440.47 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 8-[6-(deuteriomethoxy)-3-pyridinyl]-1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 168863875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).