2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide

C21H21N3O4 — CID 113178753

IUPAC2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C(C)=O)c2cccc3cccnc23)cc1OC
InChIInChI=1S/C21H21N3O4/c1-14(25)24(17-8-4-6-15-7-5-11-22-21(15)17)13-20(26)23-16-9-10-18(27-2)19(12-16)28-3/h4-12H,13H2,1-3H3,(H,23,26)
InChIKeyHYMMAQOPOOUVDK-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.24
Rot. Bonds6

About 2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide

2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 113178753) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID113178753
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C(C)=O)c2cccc3cccnc23)cc1OC
InChIInChI=1S/C21H21N3O4/c1-14(25)24(17-8-4-6-15-7-5-11-22-21(15)17)13-20(26)23-16-9-10-18(27-2)19(12-16)28-3/h4-12H,13H2,1-3H3,(H,23,26)
InChIKeyHYMMAQOPOOUVDK-UHFFFAOYSA-N
XLogP3.24
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide
CID 113178758
2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide
CID 113178742
2-(N-acetyl-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113167396
2-(N-acetyl-2-ethoxyanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113173805
N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide
CID 108956009
2-(N-acetyl-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113180763
methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate
CID 113178761
2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113178675
2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113167201
2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113181503
2-[acetyl(quinolin-8-yl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113178774
2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113178693

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide (CID 113178753) is 2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C(C)=O)c2cccc3cccnc23)cc1OC.
What is the InChIKey of 2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is HYMMAQOPOOUVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14(25)24(17-8-4-6-15-7-5-11-22-21(15)17)13-20(26)23-16-9-10-18(27-2)19(12-16)28-3/h4-12H,13H2,1-3H3,(H,23,26).
What are the key properties of 2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 379.42 g/mol, XLogP of 3.24, 6 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-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113178753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).