2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide

C22H23N3O4 — CID 113178693

IUPAC2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(OCCNC(=O)CN(C(C)=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C22H23N3O4/c1-16(26)25(20-7-3-5-17-6-4-12-24-22(17)20)15-21(27)23-13-14-29-19-10-8-18(28-2)9-11-19/h3-12H,13-15H2,1-2H3,(H,23,27)
InChIKeyRGFYKVLSCNXZAQ-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.79
Rot. Bonds8

About 2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide

2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide (PubChem CID 113178693) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
PubChem CID113178693
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(OCCNC(=O)CN(C(C)=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C22H23N3O4/c1-16(26)25(20-7-3-5-17-6-4-12-24-22(17)20)15-21(27)23-13-14-29-19-10-8-18(28-2)9-11-19/h3-12H,13-15H2,1-2H3,(H,23,27)
InChIKeyRGFYKVLSCNXZAQ-UHFFFAOYSA-N
XLogP2.79
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113178677
2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113178675
2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide
CID 113178698
N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide
CID 134036124
2-(N-acetyl-2-propan-2-ylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113169641
2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113178673
N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751
2-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113167920
methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate
CID 113063198
2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113178753
methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate
CID 113178761
N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide
CID 113178758

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide (CID 113178693) is 2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide is COc1ccc(OCCNC(=O)CN(C(C)=O)c2cccc3cccnc23)cc1.
What is the InChIKey of 2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The InChIKey is RGFYKVLSCNXZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-16(26)25(20-7-3-5-17-6-4-12-24-22(17)20)15-21(27)23-13-14-29-19-10-8-18(28-2)9-11-19/h3-12H,13-15H2,1-2H3,(H,23,27).
What are the key properties of 2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide has a molecular weight of 393.44 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 113178693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).