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

C22H23N3O3 — CID 113178677

IUPAC2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(C(C)=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C22H23N3O3/c1-16(26)25(20-7-3-5-18-6-4-13-24-22(18)20)15-21(27)23-14-12-17-8-10-19(28-2)11-9-17/h3-11,13H,12,14-15H2,1-2H3,(H,23,27)
InChIKeyIGXYONDJFQHQGH-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.96
Rot. Bonds7

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

2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 113178677) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID113178677
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(C(C)=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C22H23N3O3/c1-16(26)25(20-7-3-5-18-6-4-13-24-22(18)20)15-21(27)23-14-12-17-8-10-19(28-2)11-9-17/h3-11,13H,12,14-15H2,1-2H3,(H,23,27)
InChIKeyIGXYONDJFQHQGH-UHFFFAOYSA-N
XLogP2.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113178693
2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113178675
2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113178673
2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide
CID 113178698
3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113133211
2-(N-acetyl-4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113173533
2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149265
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 3-[acetyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176237
2-(N-acetyl-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 113173145
methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate
CID 113178761

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 113178677) is 2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN(C(C)=O)c2cccc3cccnc23)cc1.
What is the InChIKey of 2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is IGXYONDJFQHQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16(26)25(20-7-3-5-18-6-4-13-24-22(18)20)15-21(27)23-14-12-17-8-10-19(28-2)11-9-17/h3-11,13H,12,14-15H2,1-2H3,(H,23,27).
What are the key properties of 2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 377.44 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113178677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).