2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-phenylacetamide

C19H18N2O3 — CID 112787480

IUPAC2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-phenylacetamide
SMILESCOc1ccc2nc(C)cc(OCC(=O)Nc3ccccc3)c2c1
InChIInChI=1S/C19H18N2O3/c1-13-10-18(16-11-15(23-2)8-9-17(16)20-13)24-12-19(22)21-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyBNIAMFUMHFZMST-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.57
Rot. Bonds5

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

2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-phenylacetamide (PubChem CID 112787480) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-phenylacetamide
PubChem CID112787480
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-phenylacetamide
SMILESCOc1ccc2nc(C)cc(OCC(=O)Nc3ccccc3)c2c1
InChIInChI=1S/C19H18N2O3/c1-13-10-18(16-11-15(23-2)8-9-17(16)20-13)24-12-19(22)21-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyBNIAMFUMHFZMST-UHFFFAOYSA-N
XLogP3.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-phenylacetamide?
The IUPAC name of 2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-phenylacetamide (CID 112787480) is 2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-phenylacetamide.
What is the SMILES notation for 2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-phenylacetamide?
The canonical SMILES for 2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-phenylacetamide is COc1ccc2nc(C)cc(OCC(=O)Nc3ccccc3)c2c1.
What is the InChIKey of 2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-phenylacetamide?
The InChIKey is BNIAMFUMHFZMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-10-18(16-11-15(23-2)8-9-17(16)20-13)24-12-19(22)21-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of 2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-phenylacetamide?
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-phenylacetamide has a molecular weight of 322.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-phenylacetamide is sourced from PubChem (CID 112787480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).