2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide

C21H31N3O — CID 18160718

IUPAC2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C21H31N3O/c1-14(2)24(15(3)4)12-11-22-21(25)13-19-16(5)18-9-7-8-10-20(18)23-17(19)6/h7-10,14-15H,11-13H2,1-6H3,(H,22,25)
InChIKeyHGOVECJKBFZCIJ-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.63
Rot. Bonds7

About 2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide

2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide (PubChem CID 18160718) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
PubChem CID18160718
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C21H31N3O/c1-14(2)24(15(3)4)12-11-22-21(25)13-19-16(5)18-9-7-8-10-20(18)23-17(19)6/h7-10,14-15H,11-13H2,1-6H3,(H,22,25)
InChIKeyHGOVECJKBFZCIJ-UHFFFAOYSA-N
XLogP3.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 17393557
N-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 55726824
2-(2,4-dimethylquinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 27256543
N-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 27861043
2-(2,4-dimethylquinolin-3-yl)-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 52706430
2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide
CID 32925933
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 78810073
N-(2-bromophenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 31289097
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 18163674
2-(2,4-dimethylquinolin-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 55433228
2-(2,4-dimethylquinolin-3-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 18113732
2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide
CID 8839348

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide (CID 18160718) is 2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide is Cc1nc2ccccc2c(C)c1CC(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of 2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The InChIKey is HGOVECJKBFZCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-14(2)24(15(3)4)12-11-22-21(25)13-19-16(5)18-9-7-8-10-20(18)23-17(19)6/h7-10,14-15H,11-13H2,1-6H3,(H,22,25).
What are the key properties of 2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide has a molecular weight of 341.50 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 18160718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).