2-(6-bromoquinolin-3-yl)oxy-N-tert-butyl-2-methoxyacetamide

C16H19BrN2O3 — CID 67322358

IUPAC2-(6-bromoquinolin-3-yl)oxy-N-tert-butyl-2-methoxyacetamide
SMILESCOC(Oc1cnc2ccc(Br)cc2c1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H19BrN2O3/c1-16(2,3)19-14(20)15(21-4)22-12-8-10-7-11(17)5-6-13(10)18-9-12/h5-9,15H,1-4H3,(H,19,20)
InChIKeyKSSPMMHXJHCDQK-UHFFFAOYSA-N
MW367.24 g/mol
LogP3.26
Rot. Bonds4

About 2-(6-bromoquinolin-3-yl)oxy-N-tert-butyl-2-methoxyacetamide

2-(6-bromoquinolin-3-yl)oxy-N-tert-butyl-2-methoxyacetamide (PubChem CID 67322358) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-(6-bromoquinolin-3-yl)oxy-N-tert-butyl-2-methoxyacetamide.

Molecular Properties

Compound Name2-(6-bromoquinolin-3-yl)oxy-N-tert-butyl-2-methoxyacetamide
PubChem CID67322358
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC Name2-(6-bromoquinolin-3-yl)oxy-N-tert-butyl-2-methoxyacetamide
SMILESCOC(Oc1cnc2ccc(Br)cc2c1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H19BrN2O3/c1-16(2,3)19-14(20)15(21-4)22-12-8-10-7-11(17)5-6-13(10)18-9-12/h5-9,15H,1-4H3,(H,19,20)
InChIKeyKSSPMMHXJHCDQK-UHFFFAOYSA-N
XLogP3.26
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoquinolin-3-yl)oxy-N-tert-butyl-2-methoxyacetamide?
The IUPAC name of 2-(6-bromoquinolin-3-yl)oxy-N-tert-butyl-2-methoxyacetamide (CID 67322358) is 2-(6-bromoquinolin-3-yl)oxy-N-tert-butyl-2-methoxyacetamide.
What is the SMILES notation for 2-(6-bromoquinolin-3-yl)oxy-N-tert-butyl-2-methoxyacetamide?
The canonical SMILES for 2-(6-bromoquinolin-3-yl)oxy-N-tert-butyl-2-methoxyacetamide is COC(Oc1cnc2ccc(Br)cc2c1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-(6-bromoquinolin-3-yl)oxy-N-tert-butyl-2-methoxyacetamide?
The InChIKey is KSSPMMHXJHCDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c1-16(2,3)19-14(20)15(21-4)22-12-8-10-7-11(17)5-6-13(10)18-9-12/h5-9,15H,1-4H3,(H,19,20).
What are the key properties of 2-(6-bromoquinolin-3-yl)oxy-N-tert-butyl-2-methoxyacetamide?
2-(6-bromoquinolin-3-yl)oxy-N-tert-butyl-2-methoxyacetamide has a molecular weight of 367.24 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoquinolin-3-yl)oxy-N-tert-butyl-2-methoxyacetamide is sourced from PubChem (CID 67322358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).