N-tert-butyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide

C16H18Cl2N2O2 — CID 2517636

IUPACN-tert-butyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(=O)NC(C)(C)C)c2n1
InChIInChI=1S/C16H18Cl2N2O2/c1-9-5-6-10-11(17)7-12(18)15(14(10)19-9)22-8-13(21)20-16(2,3)4/h5-7H,8H2,1-4H3,(H,20,21)
InChIKeyZRBODVZBQKVODC-UHFFFAOYSA-N
MW341.24 g/mol
LogP4.14
Rot. Bonds3

About N-tert-butyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide

N-tert-butyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide (PubChem CID 2517636) has the molecular formula C16H18Cl2N2O2 and a molecular weight of 341.24 g/mol. Its IUPAC name is N-tert-butyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide
PubChem CID2517636
Molecular FormulaC16H18Cl2N2O2
Molecular Weight341.24 g/mol
Exact Mass340.07
IUPAC NameN-tert-butyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(=O)NC(C)(C)C)c2n1
InChIInChI=1S/C16H18Cl2N2O2/c1-9-5-6-10-11(17)7-12(18)15(14(10)19-9)22-8-13(21)20-16(2,3)4/h5-7H,8H2,1-4H3,(H,20,21)
InChIKeyZRBODVZBQKVODC-UHFFFAOYSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide?
The IUPAC name of N-tert-butyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide (CID 2517636) is N-tert-butyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N-tert-butyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide?
The canonical SMILES for N-tert-butyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide is Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NC(C)(C)C)c2n1.
What is the InChIKey of N-tert-butyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide?
The InChIKey is ZRBODVZBQKVODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2/c1-9-5-6-10-11(17)7-12(18)15(14(10)19-9)22-8-13(21)20-16(2,3)4/h5-7H,8H2,1-4H3,(H,20,21).
What are the key properties of N-tert-butyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide?
N-tert-butyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide has a molecular weight of 341.24 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 2517636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).