N-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide

C21H21N3O3 — CID 2451027

IUPACN-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)COc2cccc3cccnc23)cc1
InChIInChI=1S/C21H21N3O3/c1-15-8-10-17(11-9-15)23-19(25)13-24(2)20(26)14-27-18-7-3-5-16-6-4-12-22-21(16)18/h3-12H,13-14H2,1-2H3,(H,23,25)
InChIKeyASQQKVYZNOSBTM-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.02
Rot. Bonds6

About N-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide

N-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide (PubChem CID 2451027) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide
PubChem CID2451027
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)COc2cccc3cccnc23)cc1
InChIInChI=1S/C21H21N3O3/c1-15-8-10-17(11-9-15)23-19(25)13-24(2)20(26)14-27-18-7-3-5-16-6-4-12-22-21(16)18/h3-12H,13-14H2,1-2H3,(H,23,25)
InChIKeyASQQKVYZNOSBTM-UHFFFAOYSA-N
XLogP3.02
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide (CID 2451027) is N-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide is Cc1ccc(NC(=O)CN(C)C(=O)COc2cccc3cccnc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide?
The InChIKey is ASQQKVYZNOSBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15-8-10-17(11-9-15)23-19(25)13-24(2)20(26)14-27-18-7-3-5-16-6-4-12-22-21(16)18/h3-12H,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide?
N-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide has a molecular weight of 363.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide is sourced from PubChem (CID 2451027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).