6-bromo-4-chloroquinoline;6-bromo-4-phenoxyquinoline

C24H15Br2ClN2O — CID 158200745

IUPAC6-bromo-4-chloroquinoline;6-bromo-4-phenoxyquinoline
SMILESBrc1ccc2nccc(Oc3ccccc3)c2c1.Clc1ccnc2ccc(Br)cc12
InChIInChI=1S/C15H10BrNO.C9H5BrClN/c16-11-6-7-14-13(10-11)15(8-9-17-14)18-12-4-2-1-3-5-12;10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-10H;1-5H
InChIKeyGAXAJGSBNMZPND-UHFFFAOYSA-N
MW542.66 g/mol
LogP8.44
Rot. Bonds2

About 6-bromo-4-chloroquinoline;6-bromo-4-phenoxyquinoline

6-bromo-4-chloroquinoline;6-bromo-4-phenoxyquinoline (PubChem CID 158200745) has the molecular formula C24H15Br2ClN2O and a molecular weight of 542.66 g/mol. Its IUPAC name is 6-bromo-4-chloroquinoline;6-bromo-4-phenoxyquinoline.

Molecular Properties

Compound Name6-bromo-4-chloroquinoline;6-bromo-4-phenoxyquinoline
PubChem CID158200745
Molecular FormulaC24H15Br2ClN2O
Molecular Weight542.66 g/mol
Exact Mass539.92
IUPAC Name6-bromo-4-chloroquinoline;6-bromo-4-phenoxyquinoline
SMILESBrc1ccc2nccc(Oc3ccccc3)c2c1.Clc1ccnc2ccc(Br)cc12
InChIInChI=1S/C15H10BrNO.C9H5BrClN/c16-11-6-7-14-13(10-11)15(8-9-17-14)18-12-4-2-1-3-5-12;10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-10H;1-5H
InChIKeyGAXAJGSBNMZPND-UHFFFAOYSA-N
XLogP8.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.66
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[(E)-1-(4-chlorophenyl)-3-pyridin-4-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline
CID 70169344
Quinoline, 4-(2-(3-chlorophenyl)ethoxy)-8-fluoro-
CID 164187
6-Bromo-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15,17,19,21-decaene;hydrochloride
CID 145984504
7-Chloro-4-phenoxyquinoline
CID 14522856
4-(4-Bromo-2-fluorophenoxy)-7-chloroquinoline
CID 2456945
4-(4-Bromophenoxy)-7-chloroquinoline
CID 4826148
4-(4-Chlorophenoxy)quinoline
CID 12675971
6-Bromo-4-chloro-7-methoxyquinoline
CID 22931326
7-Bromo-4-(p-tolyloxy)quinoline
CID 134817400
1-(6-bromo-2-chloroquinolin-3-yl)-N-(3-methoxyphenyl)methanimine
CID 402200
8-Bromo-4-(4-fluorophenoxy)quinoline
CID 17874714
3-Bromo-7-chloro-4-(2,4-difluorophenoxy)quinoline
CID 17874725

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloroquinoline;6-bromo-4-phenoxyquinoline?
The IUPAC name of 6-bromo-4-chloroquinoline;6-bromo-4-phenoxyquinoline (CID 158200745) is 6-bromo-4-chloroquinoline;6-bromo-4-phenoxyquinoline.
What is the SMILES notation for 6-bromo-4-chloroquinoline;6-bromo-4-phenoxyquinoline?
The canonical SMILES for 6-bromo-4-chloroquinoline;6-bromo-4-phenoxyquinoline is Brc1ccc2nccc(Oc3ccccc3)c2c1.Clc1ccnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-chloroquinoline;6-bromo-4-phenoxyquinoline?
The InChIKey is GAXAJGSBNMZPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO.C9H5BrClN/c16-11-6-7-14-13(10-11)15(8-9-17-14)18-12-4-2-1-3-5-12;10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-10H;1-5H.
What are the key properties of 6-bromo-4-chloroquinoline;6-bromo-4-phenoxyquinoline?
6-bromo-4-chloroquinoline;6-bromo-4-phenoxyquinoline has a molecular weight of 542.66 g/mol, XLogP of 8.44, 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-phenoxyquinoline is sourced from PubChem (CID 158200745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).