7-bromo-3-ethyl-2-methoxy-6-methylquinoline

C13H14BrNO — CID 59393123

IUPAC7-bromo-3-ethyl-2-methoxy-6-methylquinoline
SMILESCCc1cc2cc(C)c(Br)cc2nc1OC
InChIInChI=1S/C13H14BrNO/c1-4-9-6-10-5-8(2)11(14)7-12(10)15-13(9)16-3/h5-7H,4H2,1-3H3
InChIKeyWEBIFHYGLJAQBD-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.88
Rot. Bonds2

About 7-bromo-3-ethyl-2-methoxy-6-methylquinoline

7-bromo-3-ethyl-2-methoxy-6-methylquinoline (PubChem CID 59393123) has the molecular formula C13H14BrNO and a molecular weight of 280.17 g/mol. Its IUPAC name is 7-bromo-3-ethyl-2-methoxy-6-methylquinoline.

Molecular Properties

Compound Name7-bromo-3-ethyl-2-methoxy-6-methylquinoline
PubChem CID59393123
Molecular FormulaC13H14BrNO
Molecular Weight280.17 g/mol
Exact Mass279.03
IUPAC Name7-bromo-3-ethyl-2-methoxy-6-methylquinoline
SMILESCCc1cc2cc(C)c(Br)cc2nc1OC
InChIInChI=1S/C13H14BrNO/c1-4-9-6-10-5-8(2)11(14)7-12(10)15-13(9)16-3/h5-7H,4H2,1-3H3
InChIKeyWEBIFHYGLJAQBD-UHFFFAOYSA-N
XLogP3.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-ethyl-2-methoxy-6-methylquinoline?
The IUPAC name of 7-bromo-3-ethyl-2-methoxy-6-methylquinoline (CID 59393123) is 7-bromo-3-ethyl-2-methoxy-6-methylquinoline.
What is the SMILES notation for 7-bromo-3-ethyl-2-methoxy-6-methylquinoline?
The canonical SMILES for 7-bromo-3-ethyl-2-methoxy-6-methylquinoline is CCc1cc2cc(C)c(Br)cc2nc1OC.
What is the InChIKey of 7-bromo-3-ethyl-2-methoxy-6-methylquinoline?
The InChIKey is WEBIFHYGLJAQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-4-9-6-10-5-8(2)11(14)7-12(10)15-13(9)16-3/h5-7H,4H2,1-3H3.
What are the key properties of 7-bromo-3-ethyl-2-methoxy-6-methylquinoline?
7-bromo-3-ethyl-2-methoxy-6-methylquinoline has a molecular weight of 280.17 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-ethyl-2-methoxy-6-methylquinoline is sourced from PubChem (CID 59393123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).