5-bromo-2-(dimethoxymethyl)-3-methoxypyridine;8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one;3-methyl-1-(2-methyl-3-pyridinyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-c]quinolin-2-one

C58H62BBrN10O10 — CID 159518812

IUPAC5-bromo-2-(dimethoxymethyl)-3-methoxypyridine;8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one;3-methyl-1-(2-methyl-3-pyridinyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc(-c2ccc3ncc4c(c3c2)n(-c2cccnc2C)c(=O)n4C)cnc1C(OC)OC.COc1cc(Br)cnc1C(OC)OC.Cc1ncccc1-n1c(=O)n(C)c2cnc3ccc(B4OC(C)(C)C(C)(C)O4)cc3c21
InChIInChI=1S/C26H25N5O4.C23H25BN4O3.C9H12BrNO3/c1-15-20(7-6-10-27-15)31-24-18-11-16(8-9-19(18)28-14-21(24)30(2)26(31)32)17-12-22(33-3)23(29-13-17)25(34-4)35-5;1-14-18(8-7-11-25-14)28-20-16-12-15(24-30-22(2,3)23(4,5)31-24)9-10-17(16)26-13-19(20)27(6)21(28)29;1-12-7-4-6(10)5-11-8(7)9(13-2)14-3/h6-14,25H,1-5H3;7-13H,1-6H3;4-5,9H,1-3H3
InChIKeyMBNUVHBQMJIRFH-UHFFFAOYSA-N
MW1149.91 g/mol
LogP8.97
Rot. Bonds12

About 5-bromo-2-(dimethoxymethyl)-3-methoxypyridine;8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one;3-methyl-1-(2-methyl-3-pyridinyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-c]quinolin-2-one

5-bromo-2-(dimethoxymethyl)-3-methoxypyridine;8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one;3-methyl-1-(2-methyl-3-pyridinyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 159518812) has the molecular formula C58H62BBrN10O10 and a molecular weight of 1149.91 g/mol. Its IUPAC name is 5-bromo-2-(dimethoxymethyl)-3-methoxypyridine;8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one;3-methyl-1-(2-methyl-3-pyridinyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name5-bromo-2-(dimethoxymethyl)-3-methoxypyridine;8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one;3-methyl-1-(2-methyl-3-pyridinyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID159518812
Molecular FormulaC58H62BBrN10O10
Molecular Weight1149.91 g/mol
Exact Mass1148.39
IUPAC Name5-bromo-2-(dimethoxymethyl)-3-methoxypyridine;8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one;3-methyl-1-(2-methyl-3-pyridinyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc(-c2ccc3ncc4c(c3c2)n(-c2cccnc2C)c(=O)n4C)cnc1C(OC)OC.COc1cc(Br)cnc1C(OC)OC.Cc1ncccc1-n1c(=O)n(C)c2cnc3ccc(B4OC(C)(C)C(C)(C)O4)cc3c21
InChIInChI=1S/C26H25N5O4.C23H25BN4O3.C9H12BrNO3/c1-15-20(7-6-10-27-15)31-24-18-11-16(8-9-19(18)28-14-21(24)30(2)26(31)32)17-12-22(33-3)23(29-13-17)25(34-4)35-5;1-14-18(8-7-11-25-14)28-20-16-12-15(24-30-22(2,3)23(4,5)31-24)9-10-17(16)26-13-19(20)27(6)21(28)29;1-12-7-4-6(10)5-11-8(7)9(13-2)14-3/h6-14,25H,1-5H3;7-13H,1-6H3;4-5,9H,1-3H3
InChIKeyMBNUVHBQMJIRFH-UHFFFAOYSA-N
XLogP8.97
TPSA205.04 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001149.91
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-bromo-2-(dimethoxymethyl)-3-methoxypyridine;8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one;3-methyl-1-(2-methyl-3-pyridinyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-c]quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

8-(5-Methoxy-6-methoxymethyl-pyridin-3-yl)-3-methyl-1-(2-methyl-pyridin-3-yl)-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
CID 59612951
8-(6-Dimethoxymethyl-5-methoxy-pyridin-3-yl)-3-methyl-1-(2-methyl-pyridin-3-yl)-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
CID 59612987
8-[6-(Dimethoxymethyl)-5-methoxy-3-pyridinyl]-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59613094
8-Bromo-1-(2-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one;ethane;8-(5-ethynyl-3-pyridinyl)-1-(2-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 145560141
8-Bromo-1-(2-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one;(6-methoxy-3-pyridinyl)boronic acid;1-(2-methoxy-3-pyridinyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 158060490

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(dimethoxymethyl)-3-methoxypyridine;8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one;3-methyl-1-(2-methyl-3-pyridinyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 5-bromo-2-(dimethoxymethyl)-3-methoxypyridine;8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one;3-methyl-1-(2-methyl-3-pyridinyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-c]quinolin-2-one (CID 159518812) is 5-bromo-2-(dimethoxymethyl)-3-methoxypyridine;8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one;3-methyl-1-(2-methyl-3-pyridinyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 5-bromo-2-(dimethoxymethyl)-3-methoxypyridine;8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one;3-methyl-1-(2-methyl-3-pyridinyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 5-bromo-2-(dimethoxymethyl)-3-methoxypyridine;8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one;3-methyl-1-(2-methyl-3-pyridinyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-c]quinolin-2-one is COc1cc(-c2ccc3ncc4c(c3c2)n(-c2cccnc2C)c(=O)n4C)cnc1C(OC)OC.COc1cc(Br)cnc1C(OC)OC.Cc1ncccc1-n1c(=O)n(C)c2cnc3ccc(B4OC(C)(C)C(C)(C)O4)cc3c21.
What is the InChIKey of 5-bromo-2-(dimethoxymethyl)-3-methoxypyridine;8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one;3-methyl-1-(2-methyl-3-pyridinyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is MBNUVHBQMJIRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4.C23H25BN4O3.C9H12BrNO3/c1-15-20(7-6-10-27-15)31-24-18-11-16(8-9-19(18)28-14-21(24)30(2)26(31)32)17-12-22(33-3)23(29-13-17)25(34-4)35-5;1-14-18(8-7-11-25-14)28-20-16-12-15(24-30-22(2,3)23(4,5)31-24)9-10-17(16)26-13-19(20)27(6)21(28)29;1-12-7-4-6(10)5-11-8(7)9(13-2)14-3/h6-14,25H,1-5H3;7-13H,1-6H3;4-5,9H,1-3H3.
What are the key properties of 5-bromo-2-(dimethoxymethyl)-3-methoxypyridine;8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one;3-methyl-1-(2-methyl-3-pyridinyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-c]quinolin-2-one?
5-bromo-2-(dimethoxymethyl)-3-methoxypyridine;8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one;3-methyl-1-(2-methyl-3-pyridinyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 1149.91 g/mol, XLogP of 8.97, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(dimethoxymethyl)-3-methoxypyridine;8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one;3-methyl-1-(2-methyl-3-pyridinyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 159518812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).