N-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide

C20H25Cl2N3O3 — CID 2442939

IUPACN-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12
InChIInChI=1S/C20H25Cl2N3O3/c1-6-25(10-16(26)24-20(3,4)5)17(27)11-28-19-15(22)9-14(21)13-8-7-12(2)23-18(13)19/h7-9H,6,10-11H2,1-5H3,(H,24,26)
InChIKeyHKJFGEXDSONTPW-UHFFFAOYSA-N
MW426.34 g/mol
LogP3.99
Rot. Bonds6

About N-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide

N-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide (PubChem CID 2442939) has the molecular formula C20H25Cl2N3O3 and a molecular weight of 426.34 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide
PubChem CID2442939
Molecular FormulaC20H25Cl2N3O3
Molecular Weight426.34 g/mol
Exact Mass425.13
IUPAC NameN-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12
InChIInChI=1S/C20H25Cl2N3O3/c1-6-25(10-16(26)24-20(3,4)5)17(27)11-28-19-15(22)9-14(21)13-8-7-12(2)23-18(13)19/h7-9H,6,10-11H2,1-5H3,(H,24,26)
InChIKeyHKJFGEXDSONTPW-UHFFFAOYSA-N
XLogP3.99
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide (CID 2442939) is N-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide is CCN(CC(=O)NC(C)(C)C)C(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12.
What is the InChIKey of N-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide?
The InChIKey is HKJFGEXDSONTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N3O3/c1-6-25(10-16(26)24-20(3,4)5)17(27)11-28-19-15(22)9-14(21)13-8-7-12(2)23-18(13)19/h7-9H,6,10-11H2,1-5H3,(H,24,26).
What are the key properties of N-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide?
N-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide has a molecular weight of 426.34 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide is sourced from PubChem (CID 2442939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).