2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]-N-(4-methylphenyl)acetamide

C22H23N3O3 — CID 4786344

IUPAC2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)COc2cccc3ccc(C)nc23)cc1
InChIInChI=1S/C22H23N3O3/c1-15-7-11-18(12-8-15)24-20(26)13-25(3)21(27)14-28-19-6-4-5-17-10-9-16(2)23-22(17)19/h4-12H,13-14H2,1-3H3,(H,24,26)
InChIKeyWAECFYKHIUWXIA-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.33
Rot. Bonds6

About 2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]-N-(4-methylphenyl)acetamide

2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 4786344) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID4786344
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)COc2cccc3ccc(C)nc23)cc1
InChIInChI=1S/C22H23N3O3/c1-15-7-11-18(12-8-15)24-20(26)13-25(3)21(27)14-28-19-6-4-5-17-10-9-16(2)23-22(17)19/h4-12H,13-14H2,1-3H3,(H,24,26)
InChIKeyWAECFYKHIUWXIA-UHFFFAOYSA-N
XLogP3.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]-N-(4-methylphenyl)acetamide (CID 4786344) is 2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)C(=O)COc2cccc3ccc(C)nc23)cc1.
What is the InChIKey of 2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is WAECFYKHIUWXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-7-11-18(12-8-15)24-20(26)13-25(3)21(27)14-28-19-6-4-5-17-10-9-16(2)23-22(17)19/h4-12H,13-14H2,1-3H3,(H,24,26).
What are the key properties of 2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]-N-(4-methylphenyl)acetamide?
2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 4786344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).