6-bromo-4-chloroquinoline;6-bromo-4-(cyclohexylmethoxy)quinoline

C25H23Br2ClN2O — CID 158211760

IUPAC6-bromo-4-chloroquinoline;6-bromo-4-(cyclohexylmethoxy)quinoline
SMILESBrc1ccc2nccc(OCC3CCCCC3)c2c1.Clc1ccnc2ccc(Br)cc12
InChIInChI=1S/C16H18BrNO.C9H5BrClN/c17-13-6-7-15-14(10-13)16(8-9-18-15)19-11-12-4-2-1-3-5-12;10-6-1-2-9-7(5-6)8(11)3-4-12-9/h6-10,12H,1-5,11H2;1-5H
InChIKeyGCDXEQAZZKHZCX-UHFFFAOYSA-N
MW562.73 g/mol
LogP8.61
Rot. Bonds3

About 6-bromo-4-chloroquinoline;6-bromo-4-(cyclohexylmethoxy)quinoline

6-bromo-4-chloroquinoline;6-bromo-4-(cyclohexylmethoxy)quinoline (PubChem CID 158211760) has the molecular formula C25H23Br2ClN2O and a molecular weight of 562.73 g/mol. Its IUPAC name is 6-bromo-4-chloroquinoline;6-bromo-4-(cyclohexylmethoxy)quinoline.

Molecular Properties

Compound Name6-bromo-4-chloroquinoline;6-bromo-4-(cyclohexylmethoxy)quinoline
PubChem CID158211760
Molecular FormulaC25H23Br2ClN2O
Molecular Weight562.73 g/mol
Exact Mass559.99
IUPAC Name6-bromo-4-chloroquinoline;6-bromo-4-(cyclohexylmethoxy)quinoline
SMILESBrc1ccc2nccc(OCC3CCCCC3)c2c1.Clc1ccnc2ccc(Br)cc12
InChIInChI=1S/C16H18BrNO.C9H5BrClN/c17-13-6-7-15-14(10-13)16(8-9-18-15)19-11-12-4-2-1-3-5-12;10-6-1-2-9-7(5-6)8(11)3-4-12-9/h6-10,12H,1-5,11H2;1-5H
InChIKeyGCDXEQAZZKHZCX-UHFFFAOYSA-N
XLogP8.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.73
LogP ≤ 58.61
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
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
Quinoline, 4-(2-(3-chlorophenyl)ethoxy)-8-fluoro-
CID 164187
1,10-Di(4-quinolyloxy)decane
CID 10410333
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
1-[4-[6-bromo-2-(pyridin-4-ylmethoxy)quinolin-3-yl]phenyl]-N,N-dimethylmethanamine
CID 155564631
4-(4-Bromo-2-fluorophenoxy)-7-chloroquinoline
CID 2456945
4-(4-Bromophenoxy)-7-chloroquinoline
CID 4826148
4-(4-Chlorophenoxy)quinoline
CID 12675971
1-(6-bromo-2-chloroquinolin-3-yl)-N-(3-methoxyphenyl)methanimine
CID 402200
1-Benzyl-7-chloro-4-hexyloxy-quinolinium; bromide
CID 10433085

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloroquinoline;6-bromo-4-(cyclohexylmethoxy)quinoline?
The IUPAC name of 6-bromo-4-chloroquinoline;6-bromo-4-(cyclohexylmethoxy)quinoline (CID 158211760) is 6-bromo-4-chloroquinoline;6-bromo-4-(cyclohexylmethoxy)quinoline.
What is the SMILES notation for 6-bromo-4-chloroquinoline;6-bromo-4-(cyclohexylmethoxy)quinoline?
The canonical SMILES for 6-bromo-4-chloroquinoline;6-bromo-4-(cyclohexylmethoxy)quinoline is Brc1ccc2nccc(OCC3CCCCC3)c2c1.Clc1ccnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-chloroquinoline;6-bromo-4-(cyclohexylmethoxy)quinoline?
The InChIKey is GCDXEQAZZKHZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO.C9H5BrClN/c17-13-6-7-15-14(10-13)16(8-9-18-15)19-11-12-4-2-1-3-5-12;10-6-1-2-9-7(5-6)8(11)3-4-12-9/h6-10,12H,1-5,11H2;1-5H.
What are the key properties of 6-bromo-4-chloroquinoline;6-bromo-4-(cyclohexylmethoxy)quinoline?
6-bromo-4-chloroquinoline;6-bromo-4-(cyclohexylmethoxy)quinoline has a molecular weight of 562.73 g/mol, XLogP of 8.61, 3 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-(cyclohexylmethoxy)quinoline is sourced from PubChem (CID 158211760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).