1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-quinolin-2-ylimidazo[4,5-c]quinolin-2-one

C89H72F3N27O8 — CID 158816635

IUPAC1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-quinolin-2-ylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ccc2cc[nH]c2n1)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ccc2ccccc2n1)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1cnn(C)n1)n(-c1c(C)cncc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1cnn(C)n1)n(-c1ncc(F)cc1F)c(=O)n3C
InChIInChI=1S/C25H20N6O2.C23H19N7O2.C21H18FN7O2.C20H15F2N7O2/c1-29-14-16(12-27-29)17-10-18-20(11-22(17)33-3)26-13-21-24(18)31(25(32)30(21)2)23-9-8-15-6-4-5-7-19(15)28-23;1-28-12-14(10-26-28)15-8-16-17(9-19(15)32-3)25-11-18-21(16)30(23(31)29(18)2)20-5-4-13-6-7-24-22(13)27-20;1-11-7-23-8-14(22)19(11)29-20-13-5-12(16-9-25-28(3)26-16)18(31-4)6-15(13)24-10-17(20)27(2)21(29)30;1-27-16-9-23-14-6-17(31-3)11(15-8-25-28(2)26-15)5-12(14)18(16)29(20(27)30)19-13(22)4-10(21)7-24-19/h4-14H,1-3H3;4-12H,1-3H3,(H,24,27);5-10H,1-4H3;4-9H,1-3H3
InChIKeyIVIWOEWFUVLPBE-UHFFFAOYSA-N
MW1704.73 g/mol
LogP11.88
Rot. Bonds12

About 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-quinolin-2-ylimidazo[4,5-c]quinolin-2-one

1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-quinolin-2-ylimidazo[4,5-c]quinolin-2-one (PubChem CID 158816635) has the molecular formula C89H72F3N27O8 and a molecular weight of 1704.73 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-quinolin-2-ylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-quinolin-2-ylimidazo[4,5-c]quinolin-2-one
PubChem CID158816635
Molecular FormulaC89H72F3N27O8
Molecular Weight1704.73 g/mol
Exact Mass1703.60
IUPAC Name1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-quinolin-2-ylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ccc2cc[nH]c2n1)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ccc2ccccc2n1)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1cnn(C)n1)n(-c1c(C)cncc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1cnn(C)n1)n(-c1ncc(F)cc1F)c(=O)n3C
InChIInChI=1S/C25H20N6O2.C23H19N7O2.C21H18FN7O2.C20H15F2N7O2/c1-29-14-16(12-27-29)17-10-18-20(11-22(17)33-3)26-13-21-24(18)31(25(32)30(21)2)23-9-8-15-6-4-5-7-19(15)28-23;1-28-12-14(10-26-28)15-8-16-17(9-19(15)32-3)25-11-18-21(16)30(23(31)29(18)2)20-5-4-13-6-7-24-22(13)27-20;1-11-7-23-8-14(22)19(11)29-20-13-5-12(16-9-25-28(3)26-16)18(31-4)6-15(13)24-10-17(20)27(2)21(29)30;1-27-16-9-23-14-6-17(31-3)11(15-8-25-28(2)26-15)5-12(14)18(16)29(20(27)30)19-13(22)4-10(21)7-24-19/h4-14H,1-3H3;4-12H,1-3H3,(H,24,27);5-10H,1-4H3;4-9H,1-3H3
InChIKeyIVIWOEWFUVLPBE-UHFFFAOYSA-N
XLogP11.88
TPSA360.61 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds12
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001704.73
LogP ≤ 511.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Analyze 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-quinolin-2-ylimidazo[4,5-c]quinolin-2-one with MolForge

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Related Compounds

US10457677, Example 107
CID 134325510
US10457677, Example 108
CID 134325538
US10457677, Example 152
CID 134325570
US10457677, Example 123
CID 122589388
1-(5-Fluoropyrimidin-4-yl)-7-methoxy-3-methyl-8-(1-methyl-1H-pyrazol-4-yl)-1H,2H,3H-imidazo[4,5-c] quinolin-2-one hydrochloride
CID 134325559
US10457677, Example 132
CID 122589401
US10457677, Example 69
CID 134325505
US10457677, Example 120
CID 134325526
US10457677, Example 154
CID 134325569
1-[4-[3-Amino-7-[4-[[4-[3-amino-7-[4-[[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]carbamoylamino]-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]-3-(3-methoxyphenyl)urea
CID 123739525
N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-4-[6-[5-(6-methylpyridin-2-yl)-2-[[4-(trifluoromethoxy)anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(trifluoromethoxy)aniline
CID 132035437
1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 134325524

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-quinolin-2-ylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-quinolin-2-ylimidazo[4,5-c]quinolin-2-one (CID 158816635) is 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-quinolin-2-ylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-quinolin-2-ylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-quinolin-2-ylimidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ccc2cc[nH]c2n1)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ccc2ccccc2n1)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1cnn(C)n1)n(-c1c(C)cncc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1cnn(C)n1)n(-c1ncc(F)cc1F)c(=O)n3C.
What is the InChIKey of 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-quinolin-2-ylimidazo[4,5-c]quinolin-2-one?
The InChIKey is IVIWOEWFUVLPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2.C23H19N7O2.C21H18FN7O2.C20H15F2N7O2/c1-29-14-16(12-27-29)17-10-18-20(11-22(17)33-3)26-13-21-24(18)31(25(32)30(21)2)23-9-8-15-6-4-5-7-19(15)28-23;1-28-12-14(10-26-28)15-8-16-17(9-19(15)32-3)25-11-18-21(16)30(23(31)29(18)2)20-5-4-13-6-7-24-22(13)27-20;1-11-7-23-8-14(22)19(11)29-20-13-5-12(16-9-25-28(3)26-16)18(31-4)6-15(13)24-10-17(20)27(2)21(29)30;1-27-16-9-23-14-6-17(31-3)11(15-8-25-28(2)26-15)5-12(14)18(16)29(20(27)30)19-13(22)4-10(21)7-24-19/h4-14H,1-3H3;4-12H,1-3H3,(H,24,27);5-10H,1-4H3;4-9H,1-3H3.
What are the key properties of 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-quinolin-2-ylimidazo[4,5-c]quinolin-2-one?
1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-quinolin-2-ylimidazo[4,5-c]quinolin-2-one has a molecular weight of 1704.73 g/mol, XLogP of 11.88, 12 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-quinolin-2-ylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 158816635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).