2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-N-(2-ethylphenyl)acetamide

C23H26ClN3O — CID 8556515

IUPAC2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)Cc1cc2ccc(C)c(C)c2nc1Cl
InChIInChI=1S/C23H26ClN3O/c1-5-17-8-6-7-9-20(17)25-21(28)14-27(4)13-19-12-18-11-10-15(2)16(3)22(18)26-23(19)24/h6-12H,5,13-14H2,1-4H3,(H,25,28)
InChIKeyMUWOUAXNGZFXAI-UHFFFAOYSA-N
MW395.93 g/mol
LogP5.14
Rot. Bonds6

About 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-N-(2-ethylphenyl)acetamide

2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 8556515) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
PubChem CID8556515
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)Cc1cc2ccc(C)c(C)c2nc1Cl
InChIInChI=1S/C23H26ClN3O/c1-5-17-8-6-7-9-20(17)25-21(28)14-27(4)13-19-12-18-11-10-15(2)16(3)22(18)26-23(19)24/h6-12H,5,13-14H2,1-4H3,(H,25,28)
InChIKeyMUWOUAXNGZFXAI-UHFFFAOYSA-N
XLogP5.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.93
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 26510093
N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559
N-(3-chloro-2-methylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057796
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9304031
2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 27204661
1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 3216893
2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 9039948
N-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide
CID 51109549
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 27222681
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide
CID 8789459
2-[(2-bromophenyl)methyl-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8554679
2-[(2-chlorophenyl)methyl-methylamino]-N-(4-iodo-2-methylphenyl)acetamide
CID 27222679

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-N-(2-ethylphenyl)acetamide (CID 8556515) is 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(C)Cc1cc2ccc(C)c(C)c2nc1Cl.
What is the InChIKey of 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is MUWOUAXNGZFXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-5-17-8-6-7-9-20(17)25-21(28)14-27(4)13-19-12-18-11-10-15(2)16(3)22(18)26-23(19)24/h6-12H,5,13-14H2,1-4H3,(H,25,28).
What are the key properties of 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-N-(2-ethylphenyl)acetamide?
2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 395.93 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 8556515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).