N-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide

C21H23N3O4 — CID 166382736

IUPACN-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide
SMILESCOc1cc(NC(=O)CN(C)c2ccnc3ccc(OC)cc23)cc(OC)c1
InChIInChI=1S/C21H23N3O4/c1-24(20-7-8-22-19-6-5-15(26-2)12-18(19)20)13-21(25)23-14-9-16(27-3)11-17(10-14)28-4/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyHPHWIOCAIFNHNI-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.34
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide

N-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide (PubChem CID 166382736) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide
PubChem CID166382736
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide
SMILESCOc1cc(NC(=O)CN(C)c2ccnc3ccc(OC)cc23)cc(OC)c1
InChIInChI=1S/C21H23N3O4/c1-24(20-7-8-22-19-6-5-15(26-2)12-18(19)20)13-21(25)23-14-9-16(27-3)11-17(10-14)28-4/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyHPHWIOCAIFNHNI-UHFFFAOYSA-N
XLogP3.34
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate
CID 53113052
methyl 3-(6-methoxyquinolin-4-yl)-3-oxopropanoate
CID 82665606
N-(3,5-dimethoxyphenyl)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 133337570
2-[methyl-(6-methylquinolin-4-yl)amino]acetic acid
CID 83840395
N-(4-fluorophenyl)-2-[2-(6-methoxyquinolin-4-yl)ethyl-piperidin-4-ylamino]acetamide
CID 23152191
2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-(3,5-dimethoxyphenyl)acetamide
CID 133337581
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide
CID 9438354
2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 16577758
N-(3,5-dimethoxyphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 71924471
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 86780450
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide (CID 166382736) is N-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide is COc1cc(NC(=O)CN(C)c2ccnc3ccc(OC)cc23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide?
The InChIKey is HPHWIOCAIFNHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-24(20-7-8-22-19-6-5-15(26-2)12-18(19)20)13-21(25)23-14-9-16(27-3)11-17(10-14)28-4/h5-12H,13H2,1-4H3,(H,23,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide?
N-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide has a molecular weight of 381.43 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide is sourced from PubChem (CID 166382736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).