3-bromo-7-methoxyquinoline

C10H8BrNO — CID 18788548

IUPAC3-bromo-7-methoxyquinoline
SMILESCOc1ccc2cc(Br)cnc2c1
InChIInChI=1S/C10H8BrNO/c1-13-9-3-2-7-4-8(11)6-12-10(7)5-9/h2-6H,1H3
InChIKeyBOTSUSKVHVRQAY-UHFFFAOYSA-N
MW238.08 g/mol
LogP3.01
Rot. Bonds1

About 3-bromo-7-methoxyquinoline

3-bromo-7-methoxyquinoline (PubChem CID 18788548) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 3-bromo-7-methoxyquinoline.

Molecular Properties

Compound Name3-bromo-7-methoxyquinoline
PubChem CID18788548
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name3-bromo-7-methoxyquinoline
SMILESCOc1ccc2cc(Br)cnc2c1
InChIInChI=1S/C10H8BrNO/c1-13-9-3-2-7-4-8(11)6-12-10(7)5-9/h2-6H,1H3
InChIKeyBOTSUSKVHVRQAY-UHFFFAOYSA-N
XLogP3.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methoxyquinoline?
The IUPAC name of 3-bromo-7-methoxyquinoline (CID 18788548) is 3-bromo-7-methoxyquinoline.
What is the SMILES notation for 3-bromo-7-methoxyquinoline?
The canonical SMILES for 3-bromo-7-methoxyquinoline is COc1ccc2cc(Br)cnc2c1.
What is the InChIKey of 3-bromo-7-methoxyquinoline?
The InChIKey is BOTSUSKVHVRQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c1-13-9-3-2-7-4-8(11)6-12-10(7)5-9/h2-6H,1H3.
What are the key properties of 3-bromo-7-methoxyquinoline?
3-bromo-7-methoxyquinoline has a molecular weight of 238.08 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-methoxyquinoline is sourced from PubChem (CID 18788548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).