7-(2-bromoethyl)-4-chloroquinoline

C11H9BrClN — CID 174461037

IUPAC7-(2-bromoethyl)-4-chloroquinoline
SMILESClc1ccnc2cc(CCBr)ccc12
InChIInChI=1S/C11H9BrClN/c12-5-3-8-1-2-9-10(13)4-6-14-11(9)7-8/h1-2,4,6-7H,3,5H2
InChIKeyAYHSHNNQUVBVQM-UHFFFAOYSA-N
MW270.56 g/mol
LogP3.83
Rot. Bonds2

About 7-(2-bromoethyl)-4-chloroquinoline

7-(2-bromoethyl)-4-chloroquinoline (PubChem CID 174461037) has the molecular formula C11H9BrClN and a molecular weight of 270.56 g/mol. Its IUPAC name is 7-(2-bromoethyl)-4-chloroquinoline.

Molecular Properties

Compound Name7-(2-bromoethyl)-4-chloroquinoline
PubChem CID174461037
Molecular FormulaC11H9BrClN
Molecular Weight270.56 g/mol
Exact Mass268.96
IUPAC Name7-(2-bromoethyl)-4-chloroquinoline
SMILESClc1ccnc2cc(CCBr)ccc12
InChIInChI=1S/C11H9BrClN/c12-5-3-8-1-2-9-10(13)4-6-14-11(9)7-8/h1-2,4,6-7H,3,5H2
InChIKeyAYHSHNNQUVBVQM-UHFFFAOYSA-N
XLogP3.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.56
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-7-[(4-chloroquinolin-7-yl)methoxymethyl]quinoline
CID 22054612
4,7-dichloroquinoline
CID 6866
1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione
CID 162469910
3-bromo-1-(4-chloroquinolin-7-yl)propane-1,2-diol
CID 171860751
4-chloro-7-(2-phenylethoxy)quinoline
CID 78324294
4-chloro-7-[[(3S)-3,5-dimethylpiperazin-1-yl]methyl]quinoline
CID 151469132
1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol
CID 175402022
4-chloroquinoline-7-carbaldehyde;methanol
CID 166488648
6-(2-bromoethyl)quinoline
CID 68811984
4-chloroquinoline;ethane
CID 91461667
7-(1H-benzimidazol-2-ylsulfanylmethyl)-4-chloroquinoline
CID 19075129
3-(4-chloroquinolin-7-yl)prop-2-yne-1-thiol
CID 169487292

Frequently Asked Questions

What is the IUPAC name of 7-(2-bromoethyl)-4-chloroquinoline?
The IUPAC name of 7-(2-bromoethyl)-4-chloroquinoline (CID 174461037) is 7-(2-bromoethyl)-4-chloroquinoline.
What is the SMILES notation for 7-(2-bromoethyl)-4-chloroquinoline?
The canonical SMILES for 7-(2-bromoethyl)-4-chloroquinoline is Clc1ccnc2cc(CCBr)ccc12.
What is the InChIKey of 7-(2-bromoethyl)-4-chloroquinoline?
The InChIKey is AYHSHNNQUVBVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN/c12-5-3-8-1-2-9-10(13)4-6-14-11(9)7-8/h1-2,4,6-7H,3,5H2.
What are the key properties of 7-(2-bromoethyl)-4-chloroquinoline?
7-(2-bromoethyl)-4-chloroquinoline has a molecular weight of 270.56 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bromoethyl)-4-chloroquinoline is sourced from PubChem (CID 174461037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).