2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

C21H22ClN3O — CID 133339048

IUPAC2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)c2ccnc3ccc(Cl)cc23)c(C)c1
InChIInChI=1S/C21H22ClN3O/c1-13-9-14(2)21(15(3)10-13)24-20(26)12-25(4)19-7-8-23-18-6-5-16(22)11-17(18)19/h5-11H,12H2,1-4H3,(H,24,26)
InChIKeyVLTDYOKIGRUDMA-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.89
Rot. Bonds4

About 2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 133339048) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID133339048
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)c2ccnc3ccc(Cl)cc23)c(C)c1
InChIInChI=1S/C21H22ClN3O/c1-13-9-14(2)21(15(3)10-13)24-20(26)12-25(4)19-7-8-23-18-6-5-16(22)11-17(18)19/h5-11H,12H2,1-4H3,(H,24,26)
InChIKeyVLTDYOKIGRUDMA-UHFFFAOYSA-N
XLogP4.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9185746
2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 86946093
2-[methyl-(6-methylquinolin-4-yl)amino]acetic acid
CID 83840395
N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide
CID 133303992
2-(2-chloro-N-methyl-4-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9185774
N-(5-chloro-2-fluorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 51171851
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]pyridine-4-carboxamide
CID 75377260
N-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide
CID 166382736
4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
2-[(7-chloroquinolin-1-ium-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 7873536
2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9196076
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 133339048) is 2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)c2ccnc3ccc(Cl)cc23)c(C)c1.
What is the InChIKey of 2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is VLTDYOKIGRUDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-13-9-14(2)21(15(3)10-13)24-20(26)12-25(4)19-7-8-23-18-6-5-16(22)11-17(18)19/h5-11H,12H2,1-4H3,(H,24,26).
What are the key properties of 2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 367.88 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 133339048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).