2-[(7-chloroquinolin-8-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide

C21H22ClN3O — CID 51119571

IUPAC2-[(7-chloroquinolin-8-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)Cc1c(Cl)ccc2cccnc12
InChIInChI=1S/C21H22ClN3O/c1-14-6-4-7-15(2)20(14)24-19(26)13-25(3)12-17-18(22)10-9-16-8-5-11-23-21(16)17/h4-11H,12-13H2,1-3H3,(H,24,26)
InChIKeyBFKNOLDZVMKFOM-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.58
Rot. Bonds5

About 2-[(7-chloroquinolin-8-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide

2-[(7-chloroquinolin-8-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 51119571) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 2-[(7-chloroquinolin-8-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(7-chloroquinolin-8-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID51119571
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name2-[(7-chloroquinolin-8-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)Cc1c(Cl)ccc2cccnc12
InChIInChI=1S/C21H22ClN3O/c1-14-6-4-7-15(2)20(14)24-19(26)13-25(3)12-17-18(22)10-9-16-8-5-11-23-21(16)17/h4-11H,12-13H2,1-3H3,(H,24,26)
InChIKeyBFKNOLDZVMKFOM-UHFFFAOYSA-N
XLogP4.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 38302891
2-[(2,6-dichlorophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287814
N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46601522
2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 27243408
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 2699425
2-(5-chloroquinolin-8-yl)oxy-N-(2,6-dimethylphenyl)acetamide
CID 8716363
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156685
2-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221968
N-(2,6-dimethylphenyl)-2-[(2,5-dimethylphenyl)methyl-methylamino]acetamide
CID 9221850
2-[[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 9039473
2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 31936113
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 38302921

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinolin-8-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[(7-chloroquinolin-8-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide (CID 51119571) is 2-[(7-chloroquinolin-8-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(7-chloroquinolin-8-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(7-chloroquinolin-8-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(C)Cc1c(Cl)ccc2cccnc12.
What is the InChIKey of 2-[(7-chloroquinolin-8-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is BFKNOLDZVMKFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-14-6-4-7-15(2)20(14)24-19(26)13-25(3)12-17-18(22)10-9-16-8-5-11-23-21(16)17/h4-11H,12-13H2,1-3H3,(H,24,26).
What are the key properties of 2-[(7-chloroquinolin-8-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[(7-chloroquinolin-8-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 367.88 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinolin-8-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 51119571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).