2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide

C22H21N5O5 — CID 68956688

IUPAC2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1cc2nccc(Oc3cnc(CC(=O)Nc4noc(C)c4C)nc3)c2cc1OC
InChIInChI=1S/C22H21N5O5/c1-12-13(2)32-27-22(12)26-21(28)9-20-24-10-14(11-25-20)31-17-5-6-23-16-8-19(30-4)18(29-3)7-15(16)17/h5-8,10-11H,9H2,1-4H3,(H,26,27,28)
InChIKeyUXYWTHIEFUOCDG-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.62
Rot. Bonds7

About 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide

2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide (PubChem CID 68956688) has the molecular formula C22H21N5O5 and a molecular weight of 435.44 g/mol. Its IUPAC name is 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide
PubChem CID68956688
Molecular FormulaC22H21N5O5
Molecular Weight435.44 g/mol
Exact Mass435.15
IUPAC Name2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1cc2nccc(Oc3cnc(CC(=O)Nc4noc(C)c4C)nc3)c2cc1OC
InChIInChI=1S/C22H21N5O5/c1-12-13(2)32-27-22(12)26-21(28)9-20-24-10-14(11-25-20)31-17-5-6-23-16-8-19(30-4)18(29-3)7-15(16)17/h5-8,10-11H,9H2,1-4H3,(H,26,27,28)
InChIKeyUXYWTHIEFUOCDG-UHFFFAOYSA-N
XLogP3.62
TPSA121.49 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide 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

4-[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-methoxyphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
CID 24759206
2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
CID 68959522
2-(3,4-dimethoxyphenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 152648895
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]propanamide
CID 67304059
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(4-methylphenyl)pentane-2,4-dione
CID 58249515
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 24759093
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide
CID 59813522
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 24759091
methane;4,6,7-trimethoxyquinoline
CID 157066291
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide (CID 68956688) is 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide is COc1cc2nccc(Oc3cnc(CC(=O)Nc4noc(C)c4C)nc3)c2cc1OC.
What is the InChIKey of 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is UXYWTHIEFUOCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O5/c1-12-13(2)32-27-22(12)26-21(28)9-20-24-10-14(11-25-20)31-17-5-6-23-16-8-19(30-4)18(29-3)7-15(16)17/h5-8,10-11H,9H2,1-4H3,(H,26,27,28).
What are the key properties of 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide?
2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 435.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 68956688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).