6-bromo-4-chloroquinoline;6-bromo-4-ethoxyquinoline

C20H15Br2ClN2O — CID 158542925

IUPAC6-bromo-4-chloroquinoline;6-bromo-4-ethoxyquinoline
SMILESCCOc1ccnc2ccc(Br)cc12.Clc1ccnc2ccc(Br)cc12
InChIInChI=1S/C11H10BrNO.C9H5BrClN/c1-2-14-11-5-6-13-10-4-3-8(12)7-9(10)11;10-6-1-2-9-7(5-6)8(11)3-4-12-9/h3-7H,2H2,1H3;1-5H
InChIKeyHOTBIZFOBIQRMG-UHFFFAOYSA-N
MW494.61 g/mol
LogP7.05
Rot. Bonds2

About 6-bromo-4-chloroquinoline;6-bromo-4-ethoxyquinoline

6-bromo-4-chloroquinoline;6-bromo-4-ethoxyquinoline (PubChem CID 158542925) has the molecular formula C20H15Br2ClN2O and a molecular weight of 494.61 g/mol. Its IUPAC name is 6-bromo-4-chloroquinoline;6-bromo-4-ethoxyquinoline.

Molecular Properties

Compound Name6-bromo-4-chloroquinoline;6-bromo-4-ethoxyquinoline
PubChem CID158542925
Molecular FormulaC20H15Br2ClN2O
Molecular Weight494.61 g/mol
Exact Mass491.92
IUPAC Name6-bromo-4-chloroquinoline;6-bromo-4-ethoxyquinoline
SMILESCCOc1ccnc2ccc(Br)cc12.Clc1ccnc2ccc(Br)cc12
InChIInChI=1S/C11H10BrNO.C9H5BrClN/c1-2-14-11-5-6-13-10-4-3-8(12)7-9(10)11;10-6-1-2-9-7(5-6)8(11)3-4-12-9/h3-7H,2H2,1H3;1-5H
InChIKeyHOTBIZFOBIQRMG-UHFFFAOYSA-N
XLogP7.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.61
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-7-chloro-4-hexoxyquinolin-1-ium bromide
CID 10433084
5-(7-chloroquinolin-4-yl)oxy-N,N-diethylpentan-1-amine
CID 24881538
2-[[4-[(E)-1-(4-chlorophenyl)-3-pyridin-4-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline
CID 70169344
4-Chloro-7-(3-phenylpropoxy)quinoline
CID 78324295
Aqpirxskydbndz-uhfffaoysa-
CID 10723507
7-Chloro-4-ethoxyquinoline
CID 226888
N'-[3-(7-chloroquinolin-4-yl)oxypropyl]-N,N,N'-triethylpropane-1,3-diamine
CID 44552471
7-(Benzyloxy)-4-chloroquinoline
CID 22030657
3-(7-chloroquinolin-4-yl)oxy-N,N-diethylpropan-1-amine
CID 24881537
4-(7-chloroquinolin-4-yl)oxy-N,N-diethylbutan-1-amine
CID 24881603
6-(7-chloroquinolin-4-yl)oxy-N,N-diethylhexan-1-amine
CID 24881604
8-Chloro-4-(2-methylphenoxy)quinoline
CID 164174

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloroquinoline;6-bromo-4-ethoxyquinoline?
The IUPAC name of 6-bromo-4-chloroquinoline;6-bromo-4-ethoxyquinoline (CID 158542925) is 6-bromo-4-chloroquinoline;6-bromo-4-ethoxyquinoline.
What is the SMILES notation for 6-bromo-4-chloroquinoline;6-bromo-4-ethoxyquinoline?
The canonical SMILES for 6-bromo-4-chloroquinoline;6-bromo-4-ethoxyquinoline is CCOc1ccnc2ccc(Br)cc12.Clc1ccnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-chloroquinoline;6-bromo-4-ethoxyquinoline?
The InChIKey is HOTBIZFOBIQRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO.C9H5BrClN/c1-2-14-11-5-6-13-10-4-3-8(12)7-9(10)11;10-6-1-2-9-7(5-6)8(11)3-4-12-9/h3-7H,2H2,1H3;1-5H.
What are the key properties of 6-bromo-4-chloroquinoline;6-bromo-4-ethoxyquinoline?
6-bromo-4-chloroquinoline;6-bromo-4-ethoxyquinoline has a molecular weight of 494.61 g/mol, XLogP of 7.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloroquinoline;6-bromo-4-ethoxyquinoline is sourced from PubChem (CID 158542925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).