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

C69H69N9O13 — CID 159563183

IUPAC6-(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
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(C)cc5)c4=O)nn3)c2cc1OC.COc1cc2nccc(Oc3ccc(N)nn3)c2cc1OC.Cc1ccc(-c2cn(CC3CCOCC3)cc(C(=O)O)c2=O)cc1
InChIInChI=1S/C35H34N4O6.C19H21NO4.C15H14N4O3/c1-22-4-6-24(7-5-22)27-20-39(19-23-11-14-44-15-12-23)21-28(35(27)41)30(40)16-25-8-9-34(38-37-25)45-31-10-13-36-29-18-33(43-3)32(42-2)17-26(29)31;1-13-2-4-15(5-3-13)16-11-20(10-14-6-8-24-9-7-14)12-17(18(16)21)19(22)23;1-20-12-7-9-10(8-13(12)21-2)17-6-5-11(9)22-15-4-3-14(16)18-19-15/h4-10,13,17-18,20-21,23H,11-12,14-16,19H2,1-3H3;2-5,11-12,14H,6-10H2,1H3,(H,22,23);3-8H,1-2H3,(H2,16,18)
InChIKeyMGWLYDPNVFNPBA-UHFFFAOYSA-N
MW1232.36 g/mol
LogP11.19
Rot. Bonds18

About 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

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 (PubChem CID 159563183) has the molecular formula C69H69N9O13 and a molecular weight of 1232.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID159563183
Molecular FormulaC69H69N9O13
Molecular Weight1232.36 g/mol
Exact Mass1231.50
IUPAC Name6-(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
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(C)cc5)c4=O)nn3)c2cc1OC.COc1cc2nccc(Oc3ccc(N)nn3)c2cc1OC.Cc1ccc(-c2cn(CC3CCOCC3)cc(C(=O)O)c2=O)cc1
InChIInChI=1S/C35H34N4O6.C19H21NO4.C15H14N4O3/c1-22-4-6-24(7-5-22)27-20-39(19-23-11-14-44-15-12-23)21-28(35(27)41)30(40)16-25-8-9-34(38-37-25)45-31-10-13-36-29-18-33(43-3)32(42-2)17-26(29)31;1-13-2-4-15(5-3-13)16-11-20(10-14-6-8-24-9-7-14)12-17(18(16)21)19(22)23;1-20-12-7-9-10(8-13(12)21-2)17-6-5-11(9)22-15-4-3-14(16)18-19-15/h4-10,13,17-18,20-21,23H,11-12,14-16,19H2,1-3H3;2-5,11-12,14H,6-10H2,1H3,(H,22,23);3-8H,1-2H3,(H2,16,18)
InChIKeyMGWLYDPNVFNPBA-UHFFFAOYSA-N
XLogP11.19
TPSA275.57 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001232.36
LogP ≤ 511.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze 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 with MolForge

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Related Compounds

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-methylphenyl)-1-(thian-4-ylmethyl)pyridin-4-one
CID 158442515
3-[2-[6-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]pyridazin-3-yl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one
CID 157301275
5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one
CID 157070197
3-[2-[6-[2-amino-5-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]pyridazin-3-yl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one
CID 159941776
3-[2-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]phenyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one
CID 147745828
3-[2-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]phenyl]acetyl]-5-(5-methylthiophen-2-yl)-1-(oxan-4-ylmethyl)pyridin-4-one
CID 162066075
3-[2-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]phenyl]acetyl]-5-(4-bromophenyl)-1-(oxan-4-ylmethyl)pyridin-4-one
CID 157265802
3-[2-[4-[2-amino-5-(2-methoxy-6-methyl-4-pyridinyl)-3-pyridinyl]phenyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one
CID 158805899
3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one
CID 159384472
3-[2-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]-3-fluorophenyl]acetyl]-1-(oxan-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-4-one
CID 158166502
N-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]-2-chlorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129135869

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2nccc(Oc3ccc(CC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(C)cc5)c4=O)nn3)c2cc1OC.COc1cc2nccc(Oc3ccc(N)nn3)c2cc1OC.Cc1ccc(-c2cn(CC3CCOCC3)cc(C(=O)O)c2=O)cc1.
What is the InChIKey of 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?
The InChIKey is MGWLYDPNVFNPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N4O6.C19H21NO4.C15H14N4O3/c1-22-4-6-24(7-5-22)27-20-39(19-23-11-14-44-15-12-23)21-28(35(27)41)30(40)16-25-8-9-34(38-37-25)45-31-10-13-36-29-18-33(43-3)32(42-2)17-26(29)31;1-13-2-4-15(5-3-13)16-11-20(10-14-6-8-24-9-7-14)12-17(18(16)21)19(22)23;1-20-12-7-9-10(8-13(12)21-2)17-6-5-11(9)22-15-4-3-14(16)18-19-15/h4-10,13,17-18,20-21,23H,11-12,14-16,19H2,1-3H3;2-5,11-12,14H,6-10H2,1H3,(H,22,23);3-8H,1-2H3,(H2,16,18).
What are the key properties of 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?
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 has a molecular weight of 1232.36 g/mol, XLogP of 11.19, 18 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159563183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).