5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one

C35H34N4O6 — CID 157070197

IUPAC5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)c4cn(CC5CCOCC5)nc(-c5ccc(C)cc5)c4=O)nc3)c2cc1OC
InChIInChI=1S/C35H34N4O6/c1-22-4-6-24(7-5-22)34-35(41)28(21-39(38-34)20-23-11-14-44-15-12-23)30(40)16-25-8-9-26(19-37-25)45-31-10-13-36-29-18-33(43-3)32(42-2)17-27(29)31/h4-10,13,17-19,21,23H,11-12,14-16,20H2,1-3H3
InChIKeyACILIGJYOLSMNW-UHFFFAOYSA-N
MW606.68 g/mol
LogP5.82
Rot. Bonds10

About 5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one

5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one (PubChem CID 157070197) has the molecular formula C35H34N4O6 and a molecular weight of 606.68 g/mol. Its IUPAC name is 5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one.

Molecular Properties

Compound Name5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one
PubChem CID157070197
Molecular FormulaC35H34N4O6
Molecular Weight606.68 g/mol
Exact Mass606.25
IUPAC Name5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)c4cn(CC5CCOCC5)nc(-c5ccc(C)cc5)c4=O)nc3)c2cc1OC
InChIInChI=1S/C35H34N4O6/c1-22-4-6-24(7-5-22)34-35(41)28(21-39(38-34)20-23-11-14-44-15-12-23)30(40)16-25-8-9-26(19-37-25)45-31-10-13-36-29-18-33(43-3)32(42-2)17-27(29)31/h4-10,13,17-19,21,23H,11-12,14-16,20H2,1-3H3
InChIKeyACILIGJYOLSMNW-UHFFFAOYSA-N
XLogP5.82
TPSA114.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.68
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-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

3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(thian-4-ylmethyl)pyridin-4-one
CID 158442515
3-[2-[6-(6,7-dimethoxyquinolin-4-yl)oxypyridazin-3-yl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one
CID 159563184
3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one
CID 159384472
6-(6,7-dimethoxyquinolin-4-yl)oxypyridazin-3-amine;3-[2-[6-(6,7-dimethoxyquinolin-4-yl)oxypyridazin-3-yl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid
CID 159563183
3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(2-fluoro-4-methoxyphenyl)-1-propan-2-ylpyridin-4-one
CID 158979652
1-[1-(4-aminophenyl)-4-ethoxypyrazol-3-yl]-2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]ethanone
CID 152822758
1-cyclopropyl-5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-3-(4-fluorophenyl)pyridazin-4-one;2-cyclopropyl-6-(4-fluorophenyl)-5-oxopyridazine-4-carboxylic acid;2-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-5-amine
CID 163835225
1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridin-4-one
CID 163609579
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide
CID 139336947
5-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one
CID 155331232
N-[5-([1,3]dioxolo[4,5-g]quinolin-8-yloxy)-2-pyridinyl]-5-(4-methylphenyl)-1-(oxan-4-yl)-4-oxopyridazine-3-carboxamide
CID 139336930
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-(oxolan-3-yl)pyrazole-3-carboxamide;methoxyethane
CID 145169594

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one?
The IUPAC name of 5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one (CID 157070197) is 5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one.
What is the SMILES notation for 5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one?
The canonical SMILES for 5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one is COc1cc2nccc(Oc3ccc(CC(=O)c4cn(CC5CCOCC5)nc(-c5ccc(C)cc5)c4=O)nc3)c2cc1OC.
What is the InChIKey of 5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one?
The InChIKey is ACILIGJYOLSMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N4O6/c1-22-4-6-24(7-5-22)34-35(41)28(21-39(38-34)20-23-11-14-44-15-12-23)30(40)16-25-8-9-26(19-37-25)45-31-10-13-36-29-18-33(43-3)32(42-2)17-27(29)31/h4-10,13,17-19,21,23H,11-12,14-16,20H2,1-3H3.
What are the key properties of 5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one?
5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one has a molecular weight of 606.68 g/mol, XLogP of 5.82, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one is sourced from PubChem (CID 157070197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).