6-bromo-4-chloroquinoline;6-bromo-4-methoxyquinoline

C19H13Br2ClN2O — CID 161231868

IUPAC6-bromo-4-chloroquinoline;6-bromo-4-methoxyquinoline
SMILESCOc1ccnc2ccc(Br)cc12.Clc1ccnc2ccc(Br)cc12
InChIInChI=1S/C10H8BrNO.C9H5BrClN/c1-13-10-4-5-12-9-3-2-7(11)6-8(9)10;10-6-1-2-9-7(5-6)8(11)3-4-12-9/h2-6H,1H3;1-5H
InChIKeyUYVXQRUIJFKDRY-UHFFFAOYSA-N
MW480.59 g/mol
LogP6.66
Rot. Bonds1

About 6-bromo-4-chloroquinoline;6-bromo-4-methoxyquinoline

6-bromo-4-chloroquinoline;6-bromo-4-methoxyquinoline (PubChem CID 161231868) has the molecular formula C19H13Br2ClN2O and a molecular weight of 480.59 g/mol. Its IUPAC name is 6-bromo-4-chloroquinoline;6-bromo-4-methoxyquinoline.

Molecular Properties

Compound Name6-bromo-4-chloroquinoline;6-bromo-4-methoxyquinoline
PubChem CID161231868
Molecular FormulaC19H13Br2ClN2O
Molecular Weight480.59 g/mol
Exact Mass477.91
IUPAC Name6-bromo-4-chloroquinoline;6-bromo-4-methoxyquinoline
SMILESCOc1ccnc2ccc(Br)cc12.Clc1ccnc2ccc(Br)cc12
InChIInChI=1S/C10H8BrNO.C9H5BrClN/c1-13-10-4-5-12-9-3-2-7(11)6-8(9)10;10-6-1-2-9-7(5-6)8(11)3-4-12-9/h2-6H,1H3;1-5H
InChIKeyUYVXQRUIJFKDRY-UHFFFAOYSA-N
XLogP6.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Chloro-4-methoxyquinoline
CID 1511030
3-Bromo-4-chloro-6-methoxyquinoline
CID 45599620
6-Bromo-7-methoxyquinoline
CID 86727147
1-(6-bromo-2-methoxyquinolin-3-yl)-1-phenyl-N-(pyridin-4-ylmethyl)methanamine
CID 44592246
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
3-Bromo-4-methoxyquinoline
CID 325839
8-Bromo-4-chloro-5-methoxyquinoline
CID 65512824
6-Bromo-4-(difluoromethoxy)quinoline
CID 97291496
4-(4-Chlorophenoxy)quinoline
CID 12675971
6-Bromo-4-chloro-7-methoxyquinoline
CID 22931326

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloroquinoline;6-bromo-4-methoxyquinoline?
The IUPAC name of 6-bromo-4-chloroquinoline;6-bromo-4-methoxyquinoline (CID 161231868) is 6-bromo-4-chloroquinoline;6-bromo-4-methoxyquinoline.
What is the SMILES notation for 6-bromo-4-chloroquinoline;6-bromo-4-methoxyquinoline?
The canonical SMILES for 6-bromo-4-chloroquinoline;6-bromo-4-methoxyquinoline is COc1ccnc2ccc(Br)cc12.Clc1ccnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-chloroquinoline;6-bromo-4-methoxyquinoline?
The InChIKey is UYVXQRUIJFKDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO.C9H5BrClN/c1-13-10-4-5-12-9-3-2-7(11)6-8(9)10;10-6-1-2-9-7(5-6)8(11)3-4-12-9/h2-6H,1H3;1-5H.
What are the key properties of 6-bromo-4-chloroquinoline;6-bromo-4-methoxyquinoline?
6-bromo-4-chloroquinoline;6-bromo-4-methoxyquinoline has a molecular weight of 480.59 g/mol, XLogP of 6.66, 1 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-methoxyquinoline is sourced from PubChem (CID 161231868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).