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

C46H40BBrN10O8 — CID 158060490

IUPAC8-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
SMILESCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cccnc2OC)c(=O)n4C)cn1.COc1ccc(B(O)O)cn1.COc1ncccc1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C23H19N5O3.C17H13BrN4O2.C6H8BNO3/c1-27-19-13-25-17-8-6-14(15-7-9-20(30-2)26-12-15)11-16(17)21(19)28(23(27)29)18-5-4-10-24-22(18)31-3;1-21-14-9-20-12-6-5-10(18)8-11(12)15(14)22(17(21)23)13-4-3-7-19-16(13)24-2;1-11-6-3-2-5(4-8-6)7(9)10/h4-13H,1-3H3;3-9H,1-2H3;2-4,9-10H,1H3
InChIKeyFKOTZPHVXAKRQQ-UHFFFAOYSA-N
MW951.60 g/mol
LogP5.17
Rot. Bonds8

About 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

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 (PubChem CID 158060490) has the molecular formula C46H40BBrN10O8 and a molecular weight of 951.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID158060490
Molecular FormulaC46H40BBrN10O8
Molecular Weight951.60 g/mol
Exact Mass950.23
IUPAC Name8-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
SMILESCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cccnc2OC)c(=O)n4C)cn1.COc1ccc(B(O)O)cn1.COc1ncccc1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C23H19N5O3.C17H13BrN4O2.C6H8BNO3/c1-27-19-13-25-17-8-6-14(15-7-9-20(30-2)26-12-15)11-16(17)21(19)28(23(27)29)18-5-4-10-24-22(18)31-3;1-21-14-9-20-12-6-5-10(18)8-11(12)15(14)22(17(21)23)13-4-3-7-19-16(13)24-2;1-11-6-3-2-5(4-8-6)7(9)10/h4-13H,1-3H3;3-9H,1-2H3;2-4,9-10H,1H3
InChIKeyFKOTZPHVXAKRQQ-UHFFFAOYSA-N
XLogP5.17
TPSA208.58 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500951.60
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[4-amino-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate;methane;(6-methoxy-3-pyridinyl)boronic acid;bis(8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one);propan-2-yl N-(6-bromo-4-chloroquinolin-3-yl)-N-methylcarbamate
CID 161878286
1-(2-Methoxy-pyridin-3-yl)-8-(6-methoxy-pyridin-3-yl)-3-methyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
CID 49832556
8-Bromo-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59612940
8-Bromo-1-(2-methoxy-pyridin-3-yl)-3-methyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
CID 59613037
Ethane;1-(2-methoxy-3-pyridinyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 144100626
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-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one;1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-8-(6-methoxy-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one;1,1-dichloroethane;methane;2-methoxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 157722046
3-[[6-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;pyridin-3-ylboronic acid
CID 158198074
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
1-(1-Acetylpiperidin-4-yl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one;1-cyclohexyl-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one;methyl 4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate
CID 161246511
8-Bromo-3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-4-methoxyquinoline;(4-cyanophenyl)boronic acid;3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-8-(4-isocyanophenyl)-4-methoxyquinoline
CID 162182598
1-(1-Acetylpiperidin-4-yl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one;8-(6-methoxy-3-pyridinyl)-3-methyl-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one;methyl 4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate
CID 163451760

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cccnc2OC)c(=O)n4C)cn1.COc1ccc(B(O)O)cn1.COc1ncccc1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21.
What is the InChIKey of 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?
The InChIKey is FKOTZPHVXAKRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3.C17H13BrN4O2.C6H8BNO3/c1-27-19-13-25-17-8-6-14(15-7-9-20(30-2)26-12-15)11-16(17)21(19)28(23(27)29)18-5-4-10-24-22(18)31-3;1-21-14-9-20-12-6-5-10(18)8-11(12)15(14)22(17(21)23)13-4-3-7-19-16(13)24-2;1-11-6-3-2-5(4-8-6)7(9)10/h4-13H,1-3H3;3-9H,1-2H3;2-4,9-10H,1H3.
What are the key properties of 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?
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 has a molecular weight of 951.60 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158060490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).