5-bromo-8-methoxy-2-methylquinoline

C11H10BrNO — CID 4715021

IUPAC5-bromo-8-methoxy-2-methylquinoline
SMILESCOc1ccc(Br)c2ccc(C)nc12
InChIInChI=1S/C11H10BrNO/c1-7-3-4-8-9(12)5-6-10(14-2)11(8)13-7/h3-6H,1-2H3
InChIKeyMCBRCJBMVOOJFX-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.31
Rot. Bonds1

About 5-bromo-8-methoxy-2-methylquinoline

5-bromo-8-methoxy-2-methylquinoline (PubChem CID 4715021) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 5-bromo-8-methoxy-2-methylquinoline.

Molecular Properties

Compound Name5-bromo-8-methoxy-2-methylquinoline
PubChem CID4715021
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name5-bromo-8-methoxy-2-methylquinoline
SMILESCOc1ccc(Br)c2ccc(C)nc12
InChIInChI=1S/C11H10BrNO/c1-7-3-4-8-9(12)5-6-10(14-2)11(8)13-7/h3-6H,1-2H3
InChIKeyMCBRCJBMVOOJFX-UHFFFAOYSA-N
XLogP3.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-methoxy-2-methylquinoline?
The IUPAC name of 5-bromo-8-methoxy-2-methylquinoline (CID 4715021) is 5-bromo-8-methoxy-2-methylquinoline.
What is the SMILES notation for 5-bromo-8-methoxy-2-methylquinoline?
The canonical SMILES for 5-bromo-8-methoxy-2-methylquinoline is COc1ccc(Br)c2ccc(C)nc12.
What is the InChIKey of 5-bromo-8-methoxy-2-methylquinoline?
The InChIKey is MCBRCJBMVOOJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-7-3-4-8-9(12)5-6-10(14-2)11(8)13-7/h3-6H,1-2H3.
What are the key properties of 5-bromo-8-methoxy-2-methylquinoline?
5-bromo-8-methoxy-2-methylquinoline has a molecular weight of 252.11 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-methoxy-2-methylquinoline is sourced from PubChem (CID 4715021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).