3-bromo-4-chloro-8-methoxyquinoline

C10H7BrClNO — CID 15025719

IUPAC3-bromo-4-chloro-8-methoxyquinoline
SMILESCOc1cccc2c(Cl)c(Br)cnc12
InChIInChI=1S/C10H7BrClNO/c1-14-8-4-2-3-6-9(12)7(11)5-13-10(6)8/h2-5H,1H3
InChIKeyKNCYGWUHMJIGOQ-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.66
Rot. Bonds1

About 3-bromo-4-chloro-8-methoxyquinoline

3-bromo-4-chloro-8-methoxyquinoline (PubChem CID 15025719) has the molecular formula C10H7BrClNO and a molecular weight of 272.53 g/mol. Its IUPAC name is 3-bromo-4-chloro-8-methoxyquinoline.

Molecular Properties

Compound Name3-bromo-4-chloro-8-methoxyquinoline
PubChem CID15025719
Molecular FormulaC10H7BrClNO
Molecular Weight272.53 g/mol
Exact Mass270.94
IUPAC Name3-bromo-4-chloro-8-methoxyquinoline
SMILESCOc1cccc2c(Cl)c(Br)cnc12
InChIInChI=1S/C10H7BrClNO/c1-14-8-4-2-3-6-9(12)7(11)5-13-10(6)8/h2-5H,1H3
InChIKeyKNCYGWUHMJIGOQ-UHFFFAOYSA-N
XLogP3.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-8-methoxyquinoline?
The IUPAC name of 3-bromo-4-chloro-8-methoxyquinoline (CID 15025719) is 3-bromo-4-chloro-8-methoxyquinoline.
What is the SMILES notation for 3-bromo-4-chloro-8-methoxyquinoline?
The canonical SMILES for 3-bromo-4-chloro-8-methoxyquinoline is COc1cccc2c(Cl)c(Br)cnc12.
What is the InChIKey of 3-bromo-4-chloro-8-methoxyquinoline?
The InChIKey is KNCYGWUHMJIGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO/c1-14-8-4-2-3-6-9(12)7(11)5-13-10(6)8/h2-5H,1H3.
What are the key properties of 3-bromo-4-chloro-8-methoxyquinoline?
3-bromo-4-chloro-8-methoxyquinoline has a molecular weight of 272.53 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-8-methoxyquinoline is sourced from PubChem (CID 15025719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).