2-[(6-bromo-7-fluoroquinolin-2-yl)-ethylamino]-N-propan-2-ylacetamide

C16H19BrFN3O — CID 133382196

IUPAC2-[(6-bromo-7-fluoroquinolin-2-yl)-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ccc2cc(Br)c(F)cc2n1
InChIInChI=1S/C16H19BrFN3O/c1-4-21(9-16(22)19-10(2)3)15-6-5-11-7-12(17)13(18)8-14(11)20-15/h5-8,10H,4,9H2,1-3H3,(H,19,22)
InChIKeySBEVHVGDWXWMKO-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.49
Rot. Bonds5

About 2-[(6-bromo-7-fluoroquinolin-2-yl)-ethylamino]-N-propan-2-ylacetamide

2-[(6-bromo-7-fluoroquinolin-2-yl)-ethylamino]-N-propan-2-ylacetamide (PubChem CID 133382196) has the molecular formula C16H19BrFN3O and a molecular weight of 368.25 g/mol. Its IUPAC name is 2-[(6-bromo-7-fluoroquinolin-2-yl)-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-bromo-7-fluoroquinolin-2-yl)-ethylamino]-N-propan-2-ylacetamide
PubChem CID133382196
Molecular FormulaC16H19BrFN3O
Molecular Weight368.25 g/mol
Exact Mass367.07
IUPAC Name2-[(6-bromo-7-fluoroquinolin-2-yl)-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ccc2cc(Br)c(F)cc2n1
InChIInChI=1S/C16H19BrFN3O/c1-4-21(9-16(22)19-10(2)3)15-6-5-11-7-12(17)13(18)8-14(11)20-15/h5-8,10H,4,9H2,1-3H3,(H,19,22)
InChIKeySBEVHVGDWXWMKO-UHFFFAOYSA-N
XLogP3.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-7-fluoroquinolin-2-yl)-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-bromo-7-fluoroquinolin-2-yl)-ethylamino]-N-propan-2-ylacetamide (CID 133382196) is 2-[(6-bromo-7-fluoroquinolin-2-yl)-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-bromo-7-fluoroquinolin-2-yl)-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-bromo-7-fluoroquinolin-2-yl)-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1ccc2cc(Br)c(F)cc2n1.
What is the InChIKey of 2-[(6-bromo-7-fluoroquinolin-2-yl)-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is SBEVHVGDWXWMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN3O/c1-4-21(9-16(22)19-10(2)3)15-6-5-11-7-12(17)13(18)8-14(11)20-15/h5-8,10H,4,9H2,1-3H3,(H,19,22).
What are the key properties of 2-[(6-bromo-7-fluoroquinolin-2-yl)-ethylamino]-N-propan-2-ylacetamide?
2-[(6-bromo-7-fluoroquinolin-2-yl)-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 368.25 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-7-fluoroquinolin-2-yl)-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 133382196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).