2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-pyrimidin-4-ylacetamide

C17H16N4O3 — CID 155924078

IUPAC2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-pyrimidin-4-ylacetamide
SMILESCOc1ccc2nc(C)cc(OCC(=O)Nc3ccncn3)c2c1
InChIInChI=1S/C17H16N4O3/c1-11-7-15(13-8-12(23-2)3-4-14(13)20-11)24-9-17(22)21-16-5-6-18-10-19-16/h3-8,10H,9H2,1-2H3,(H,18,19,21,22)
InChIKeyMNQZNKUCKDPQIK-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.36
Rot. Bonds5

About 2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-pyrimidin-4-ylacetamide

2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-pyrimidin-4-ylacetamide (PubChem CID 155924078) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-pyrimidin-4-ylacetamide.

Molecular Properties

Compound Name2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-pyrimidin-4-ylacetamide
PubChem CID155924078
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-pyrimidin-4-ylacetamide
SMILESCOc1ccc2nc(C)cc(OCC(=O)Nc3ccncn3)c2c1
InChIInChI=1S/C17H16N4O3/c1-11-7-15(13-8-12(23-2)3-4-14(13)20-11)24-9-17(22)21-16-5-6-18-10-19-16/h3-8,10H,9H2,1-2H3,(H,18,19,21,22)
InChIKeyMNQZNKUCKDPQIK-UHFFFAOYSA-N
XLogP2.36
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-pyrimidin-4-ylacetamide?
The IUPAC name of 2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-pyrimidin-4-ylacetamide (CID 155924078) is 2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-pyrimidin-4-ylacetamide.
What is the SMILES notation for 2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-pyrimidin-4-ylacetamide?
The canonical SMILES for 2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-pyrimidin-4-ylacetamide is COc1ccc2nc(C)cc(OCC(=O)Nc3ccncn3)c2c1.
What is the InChIKey of 2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-pyrimidin-4-ylacetamide?
The InChIKey is MNQZNKUCKDPQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-11-7-15(13-8-12(23-2)3-4-14(13)20-11)24-9-17(22)21-16-5-6-18-10-19-16/h3-8,10H,9H2,1-2H3,(H,18,19,21,22).
What are the key properties of 2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-pyrimidin-4-ylacetamide?
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-pyrimidin-4-ylacetamide has a molecular weight of 324.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-pyrimidin-4-ylacetamide is sourced from PubChem (CID 155924078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).