N-[2-[6-(2-bromocyclopropyl)oxyquinolin-4-yl]ethyl]acetamide

C16H17BrN2O2 — CID 175436333

IUPACN-[2-[6-(2-bromocyclopropyl)oxyquinolin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccnc2ccc(OC3CC3Br)cc12
InChIInChI=1S/C16H17BrN2O2/c1-10(20)18-6-4-11-5-7-19-15-3-2-12(8-13(11)15)21-16-9-14(16)17/h2-3,5,7-8,14,16H,4,6,9H2,1H3,(H,18,20)
InChIKeyPEMDYDHFMBFKLH-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.83
Rot. Bonds5

About N-[2-[6-(2-bromocyclopropyl)oxyquinolin-4-yl]ethyl]acetamide

N-[2-[6-(2-bromocyclopropyl)oxyquinolin-4-yl]ethyl]acetamide (PubChem CID 175436333) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-[2-[6-(2-bromocyclopropyl)oxyquinolin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-(2-bromocyclopropyl)oxyquinolin-4-yl]ethyl]acetamide
PubChem CID175436333
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-[2-[6-(2-bromocyclopropyl)oxyquinolin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccnc2ccc(OC3CC3Br)cc12
InChIInChI=1S/C16H17BrN2O2/c1-10(20)18-6-4-11-5-7-19-15-3-2-12(8-13(11)15)21-16-9-14(16)17/h2-3,5,7-8,14,16H,4,6,9H2,1H3,(H,18,20)
InChIKeyPEMDYDHFMBFKLH-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(6-methoxyquinolin-4-yl)ethyl]cyclopropanecarboxamide
CID 19709964
N-[2-(2-bromo-6-cyclopropyloxyquinolin-4-yl)ethyl]acetamide
CID 162686330
N-[2-(4-formyl-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 22133314
N-[2-(7-cyclopropyloxy-3-hydroxynaphthalen-1-yl)ethyl]acetamide
CID 162686348
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
4-[2-(6-ethoxyquinolin-4-yl)ethyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 66921484
N-[2-(4-bromo-2-pyridinyl)ethyl]acetamide
CID 90008913
3-(6-methoxyquinolin-4-yl)propanal
CID 10751165
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
ethyl 3-(6-methoxyquinolin-4-yl)propanoate
CID 66736782
N-[2-(7-propoxynaphthalen-1-yl)ethyl]acetamide
CID 10061753
N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide
CID 162655667

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(2-bromocyclopropyl)oxyquinolin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[6-(2-bromocyclopropyl)oxyquinolin-4-yl]ethyl]acetamide (CID 175436333) is N-[2-[6-(2-bromocyclopropyl)oxyquinolin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[6-(2-bromocyclopropyl)oxyquinolin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[6-(2-bromocyclopropyl)oxyquinolin-4-yl]ethyl]acetamide is CC(=O)NCCc1ccnc2ccc(OC3CC3Br)cc12.
What is the InChIKey of N-[2-[6-(2-bromocyclopropyl)oxyquinolin-4-yl]ethyl]acetamide?
The InChIKey is PEMDYDHFMBFKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10(20)18-6-4-11-5-7-19-15-3-2-12(8-13(11)15)21-16-9-14(16)17/h2-3,5,7-8,14,16H,4,6,9H2,1H3,(H,18,20).
What are the key properties of N-[2-[6-(2-bromocyclopropyl)oxyquinolin-4-yl]ethyl]acetamide?
N-[2-[6-(2-bromocyclopropyl)oxyquinolin-4-yl]ethyl]acetamide has a molecular weight of 349.23 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(2-bromocyclopropyl)oxyquinolin-4-yl]ethyl]acetamide is sourced from PubChem (CID 175436333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).