N-[2-(2-bromo-6-cyclopropyloxyquinolin-4-yl)ethyl]acetamide

C16H17BrN2O2 — CID 162686330

IUPACN-[2-(2-bromo-6-cyclopropyloxyquinolin-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cc(Br)nc2ccc(OC3CC3)cc12
InChIInChI=1S/C16H17BrN2O2/c1-10(20)18-7-6-11-8-16(17)19-15-5-4-13(9-14(11)15)21-12-2-3-12/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyPLRFAIWIEMFENO-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.22
Rot. Bonds5

About N-[2-(2-bromo-6-cyclopropyloxyquinolin-4-yl)ethyl]acetamide

N-[2-(2-bromo-6-cyclopropyloxyquinolin-4-yl)ethyl]acetamide (PubChem CID 162686330) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-[2-(2-bromo-6-cyclopropyloxyquinolin-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-bromo-6-cyclopropyloxyquinolin-4-yl)ethyl]acetamide
PubChem CID162686330
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-[2-(2-bromo-6-cyclopropyloxyquinolin-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cc(Br)nc2ccc(OC3CC3)cc12
InChIInChI=1S/C16H17BrN2O2/c1-10(20)18-7-6-11-8-16(17)19-15-5-4-13(9-14(11)15)21-12-2-3-12/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyPLRFAIWIEMFENO-UHFFFAOYSA-N
XLogP3.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-6-cyclopropyloxyquinolin-4-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-bromo-6-cyclopropyloxyquinolin-4-yl)ethyl]acetamide (CID 162686330) is N-[2-(2-bromo-6-cyclopropyloxyquinolin-4-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-bromo-6-cyclopropyloxyquinolin-4-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-bromo-6-cyclopropyloxyquinolin-4-yl)ethyl]acetamide is CC(=O)NCCc1cc(Br)nc2ccc(OC3CC3)cc12.
What is the InChIKey of N-[2-(2-bromo-6-cyclopropyloxyquinolin-4-yl)ethyl]acetamide?
The InChIKey is PLRFAIWIEMFENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10(20)18-7-6-11-8-16(17)19-15-5-4-13(9-14(11)15)21-12-2-3-12/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-bromo-6-cyclopropyloxyquinolin-4-yl)ethyl]acetamide?
N-[2-(2-bromo-6-cyclopropyloxyquinolin-4-yl)ethyl]acetamide has a molecular weight of 349.23 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-6-cyclopropyloxyquinolin-4-yl)ethyl]acetamide is sourced from PubChem (CID 162686330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).