8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one

C100H82F3N27O11 — CID 158204504

IUPAC8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnc2nc(C)[nH]c2c1)n(-c1c(F)cncc1OC)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1cnc2nc(C)[nH]c2c1)n(-c1cn(C)nc1C)c(=O)n3C.COc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5ccc6nc(C)[nH]c6c5)cc4c32)c(F)c1.COc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5ccc6nc[nH]c6c5)cc4c32)c(F)c1
InChIInChI=1S/C26H21FN6O3.C25H20FN7O3.C25H19FN6O3.C24H22N8O2/c1-13-30-19-6-5-14(7-21(19)31-13)16-9-17-20(10-23(16)36-4)28-12-22-24(17)33(26(34)32(22)2)25-18(27)8-15(35-3)11-29-25;1-12-30-18-5-13(8-29-24(18)31-12)14-6-15-17(7-20(14)35-3)28-10-19-22(15)33(25(34)32(19)2)23-16(26)9-27-11-21(23)36-4;1-31-21-11-27-19-9-22(35-3)15(13-4-5-18-20(6-13)30-12-29-18)8-16(19)23(21)32(25(31)33)24-17(26)7-14(34-2)10-28-24;1-12-20(11-30(3)29-12)32-22-16-7-15(14-6-18-23(26-9-14)28-13(2)27-18)21(34-5)8-17(16)25-10-19(22)31(4)24(32)33/h5-12H,1-4H3,(H,30,31);5-11H,1-4H3,(H,29,30,31);4-12H,1-3H3,(H,29,30);6-11H,1-5H3,(H,26,27,28)
InChIKeyGBIHHQMIYHHXOS-UHFFFAOYSA-N
MW1894.93 g/mol
LogP15.10
Rot. Bonds15

About 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one

8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 158204504) has the molecular formula C100H82F3N27O11 and a molecular weight of 1894.93 g/mol. Its IUPAC name is 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID158204504
Molecular FormulaC100H82F3N27O11
Molecular Weight1894.93 g/mol
Exact Mass1893.66
IUPAC Name8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnc2nc(C)[nH]c2c1)n(-c1c(F)cncc1OC)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1cnc2nc(C)[nH]c2c1)n(-c1cn(C)nc1C)c(=O)n3C.COc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5ccc6nc(C)[nH]c6c5)cc4c32)c(F)c1.COc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5ccc6nc[nH]c6c5)cc4c32)c(F)c1
InChIInChI=1S/C26H21FN6O3.C25H20FN7O3.C25H19FN6O3.C24H22N8O2/c1-13-30-19-6-5-14(7-21(19)31-13)16-9-17-20(10-23(16)36-4)28-12-22-24(17)33(26(34)32(22)2)25-18(27)8-15(35-3)11-29-25;1-12-30-18-5-13(8-29-24(18)31-12)14-6-15-17(7-20(14)35-3)28-10-19-22(15)33(25(34)32(19)2)23-16(26)9-27-11-21(23)36-4;1-31-21-11-27-19-9-22(35-3)15(13-4-5-18-20(6-13)30-12-29-18)8-16(19)23(21)32(25(31)33)24-17(26)7-14(34-2)10-28-24;1-12-20(11-30(3)29-12)32-22-16-7-15(14-6-18-23(26-9-14)28-13(2)27-18)21(34-5)8-17(16)25-10-19(22)31(4)24(32)33/h5-12H,1-4H3,(H,30,31);5-11H,1-4H3,(H,29,30,31);4-12H,1-3H3,(H,29,30);6-11H,1-5H3,(H,26,27,28)
InChIKeyGBIHHQMIYHHXOS-UHFFFAOYSA-N
XLogP15.10
TPSA420.88 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds15
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001894.93
LogP ≤ 515.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Analyze 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one with MolForge

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Related Compounds

US10457677, Example 136
CID 134325535
US10457677, Example 144
CID 134325557
US10457677, Example 152
CID 134325570
US10457677, Example 153
CID 134325550
US10457677, Example 132
CID 122589401
US10457677, Example 69
CID 134325505
US10457677, Example 154
CID 134325569
3-(methoxymethyl)-4-[6-[5-(6-methyl-2-pyridinyl)-2-[[4-[[6-[5-(6-methyl-2-pyridinyl)-2-[[2-(trifluoromethoxy)anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxymethyl]anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 132035434
1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-6-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 134325567
N-[[5-[1-[1-[3-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenoxy]propyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137087283
bis[2-[4-[6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-5-yl]-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-4-methylpiperazin-1-yl]methanone
CID 140220480
1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)-2-methylideneimidazo[4,5-c]quinoline
CID 145161746

Frequently Asked Questions

What is the IUPAC name of 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one (CID 158204504) is 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cnc2nc(C)[nH]c2c1)n(-c1c(F)cncc1OC)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1cnc2nc(C)[nH]c2c1)n(-c1cn(C)nc1C)c(=O)n3C.COc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5ccc6nc(C)[nH]c6c5)cc4c32)c(F)c1.COc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5ccc6nc[nH]c6c5)cc4c32)c(F)c1.
What is the InChIKey of 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is GBIHHQMIYHHXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN6O3.C25H20FN7O3.C25H19FN6O3.C24H22N8O2/c1-13-30-19-6-5-14(7-21(19)31-13)16-9-17-20(10-23(16)36-4)28-12-22-24(17)33(26(34)32(22)2)25-18(27)8-15(35-3)11-29-25;1-12-30-18-5-13(8-29-24(18)31-12)14-6-15-17(7-20(14)35-3)28-10-19-22(15)33(25(34)32(19)2)23-16(26)9-27-11-21(23)36-4;1-31-21-11-27-19-9-22(35-3)15(13-4-5-18-20(6-13)30-12-29-18)8-16(19)23(21)32(25(31)33)24-17(26)7-14(34-2)10-28-24;1-12-20(11-30(3)29-12)32-22-16-7-15(14-6-18-23(26-9-14)28-13(2)27-18)21(34-5)8-17(16)25-10-19(22)31(4)24(32)33/h5-12H,1-4H3,(H,30,31);5-11H,1-4H3,(H,29,30,31);4-12H,1-3H3,(H,29,30);6-11H,1-5H3,(H,26,27,28).
What are the key properties of 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one?
8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 1894.93 g/mol, XLogP of 15.10, 15 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 158204504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).