6-[4-[1-[4-(5-aminopyrimidin-2-yl)oxy-7-methoxyquinolin-6-yl]oxyethyl]phenyl]-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid

C30H28N6O6 — CID 166995425

IUPAC6-[4-[1-[4-(5-aminopyrimidin-2-yl)oxy-7-methoxyquinolin-6-yl]oxyethyl]phenyl]-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid
SMILESCOc1cc2nccc(Oc3ncc(N)cn3)c2cc1OC(C)c1ccc(-c2nn(C(C)C)cc(C(=O)O)c2=O)cc1
InChIInChI=1S/C30H28N6O6/c1-16(2)36-15-22(29(38)39)28(37)27(35-36)19-7-5-18(6-8-19)17(3)41-26-11-21-23(12-25(26)40-4)32-10-9-24(21)42-30-33-13-20(31)14-34-30/h5-17H,31H2,1-4H3,(H,38,39)
InChIKeyVJDXSEFECVHSHX-UHFFFAOYSA-N
MW568.59 g/mol
LogP5.05
Rot. Bonds9

About 6-[4-[1-[4-(5-aminopyrimidin-2-yl)oxy-7-methoxyquinolin-6-yl]oxyethyl]phenyl]-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid

6-[4-[1-[4-(5-aminopyrimidin-2-yl)oxy-7-methoxyquinolin-6-yl]oxyethyl]phenyl]-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid (PubChem CID 166995425) has the molecular formula C30H28N6O6 and a molecular weight of 568.59 g/mol. Its IUPAC name is 6-[4-[1-[4-(5-aminopyrimidin-2-yl)oxy-7-methoxyquinolin-6-yl]oxyethyl]phenyl]-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-[4-[1-[4-(5-aminopyrimidin-2-yl)oxy-7-methoxyquinolin-6-yl]oxyethyl]phenyl]-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid
PubChem CID166995425
Molecular FormulaC30H28N6O6
Molecular Weight568.59 g/mol
Exact Mass568.21
IUPAC Name6-[4-[1-[4-(5-aminopyrimidin-2-yl)oxy-7-methoxyquinolin-6-yl]oxyethyl]phenyl]-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid
SMILESCOc1cc2nccc(Oc3ncc(N)cn3)c2cc1OC(C)c1ccc(-c2nn(C(C)C)cc(C(=O)O)c2=O)cc1
InChIInChI=1S/C30H28N6O6/c1-16(2)36-15-22(29(38)39)28(37)27(35-36)19-7-5-18(6-8-19)17(3)41-26-11-21-23(12-25(26)40-4)32-10-9-24(21)42-30-33-13-20(31)14-34-30/h5-17H,31H2,1-4H3,(H,38,39)
InChIKeyVJDXSEFECVHSHX-UHFFFAOYSA-N
XLogP5.05
TPSA164.57 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500568.59
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-[4-[1-[4-(5-aminopyrimidin-2-yl)oxy-7-methoxyquinolin-6-yl]oxyethyl]phenyl]-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid with MolForge

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Related Compounds

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
N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-1,2-dihydropyridin-6-yl]-6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxamide
CID 146418867
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid
CID 23078521
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 123279032
1-cyclopropyl-N-[2-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-5-yl]-5-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
CID 146418786
4,6-dimethoxy-7-pentan-3-yloxyquinoline
CID 155219752
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 141052127
5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one
CID 157070197
5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one
CID 147031383
5-(3,4-difluorophenyl)-N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 154975809

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-[4-(5-aminopyrimidin-2-yl)oxy-7-methoxyquinolin-6-yl]oxyethyl]phenyl]-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid?
The IUPAC name of 6-[4-[1-[4-(5-aminopyrimidin-2-yl)oxy-7-methoxyquinolin-6-yl]oxyethyl]phenyl]-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid (CID 166995425) is 6-[4-[1-[4-(5-aminopyrimidin-2-yl)oxy-7-methoxyquinolin-6-yl]oxyethyl]phenyl]-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid.
What is the SMILES notation for 6-[4-[1-[4-(5-aminopyrimidin-2-yl)oxy-7-methoxyquinolin-6-yl]oxyethyl]phenyl]-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid?
The canonical SMILES for 6-[4-[1-[4-(5-aminopyrimidin-2-yl)oxy-7-methoxyquinolin-6-yl]oxyethyl]phenyl]-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid is COc1cc2nccc(Oc3ncc(N)cn3)c2cc1OC(C)c1ccc(-c2nn(C(C)C)cc(C(=O)O)c2=O)cc1.
What is the InChIKey of 6-[4-[1-[4-(5-aminopyrimidin-2-yl)oxy-7-methoxyquinolin-6-yl]oxyethyl]phenyl]-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid?
The InChIKey is VJDXSEFECVHSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O6/c1-16(2)36-15-22(29(38)39)28(37)27(35-36)19-7-5-18(6-8-19)17(3)41-26-11-21-23(12-25(26)40-4)32-10-9-24(21)42-30-33-13-20(31)14-34-30/h5-17H,31H2,1-4H3,(H,38,39).
What are the key properties of 6-[4-[1-[4-(5-aminopyrimidin-2-yl)oxy-7-methoxyquinolin-6-yl]oxyethyl]phenyl]-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid?
6-[4-[1-[4-(5-aminopyrimidin-2-yl)oxy-7-methoxyquinolin-6-yl]oxyethyl]phenyl]-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid has a molecular weight of 568.59 g/mol, XLogP of 5.05, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-[4-(5-aminopyrimidin-2-yl)oxy-7-methoxyquinolin-6-yl]oxyethyl]phenyl]-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid is sourced from PubChem (CID 166995425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).